Sugi Predict

Sugi Predict / Compounds / SCHEMBL446262

SCHEMBL446262

SCHEMBL446262

CC(C)(C)OC(=O)N1Cc2cc(N)ccc2C(C)(C)C1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 2/20 0.64
▸ ESR2 Q92731 1/20 0.46
▸ HDAC1 Q13547 2/20 0.41
▸ DDB1 Q16531 2/20 0.41
▸ CRBN Q96SW2 2/20 0.41
▸ MAPK1 P28482 1/20 0.40
▸ NAMPT P43490 3/20 0.37
▸ HDAC2 Q92769 2/20 0.37
▸ WEE1 P30291 1/20 0.37
▸ ADORA1 P30542 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ USP30 Q70CQ3 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ RORC P51449 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29507872 1.00 NR1H2 (0.64) NR1H2ESR2HDAC1DDB1CRBN
SCHEMBL29051772 0.88 NR1H2 (0.68) NR1H2ESR2HDAC1DDB1CRBN
SCHEMBL12006705 0.86 NR1H2 (0.66) NR1H2ESR2HDAC1DDB1CRBN
SCHEMBL29554271 0.86 NR1H2 (0.66) NR1H2ESR2HDAC1DDB1CRBN
SCHEMBL12279892 0.85 NR1H2 (0.52) NR1H2ESR2HDAC1DDB1CRBN
SCHEMBL7679231 0.85 NR1H2 (0.52) NR1H2ESR2HDAC1DDB1CRBN
SCHEMBL29407058 0.85 NR1H2 (0.52) NR1H2ESR2HDAC1DDB1CRBN
SCHEMBL22993492 0.83 NR1H2 (0.50) NR1H2ESR2HDAC1DDB1CRBN
SCHEMBL29391233 0.83 NR1H2 (0.50) NR1H2ESR2HDAC1DDB1CRBN
SCHEMBL29697609 0.83 NR1H2 (0.50) NR1H2ESR2HDAC1DDB1CRBN

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 99 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3661918-B1 1,2-DIHYDRO-3H-PYRAZOLO[3,4-D]PYRIMIDIN-3-ONE ANALOGS RECURIUM IP HOLDINGS LLC (US) 2024-05-08 — — EP disclosed
US-20230118115-A1 SUBSTITUTED PYRAZOLO[3,4-d]PYRIMIDINES AS WEE1 INHIBITORS INTEGRAL BIOSCIENCES PVT. LTD. (IN) 2023-04-20 — — US disclosed
US-20230118115-A1 SUBSTITUTED PYRAZOLO[3,4-d]PYRIMIDINES AS WEE1 INHIBITORS INTEGRAL BIOSCIENCES PVT. LTD. (IN) 2023-04-20 — — US disclosed
US-20230109104-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF NUVATION BIO INC (US) 2023-04-06 — — US disclosed
EP-3604306-B1 MACROCYCLIC DERIVATIVE OF PYRAZOL[3,4-D]PYRIMIDIN-3-ONE, PHARMACEUTICAL COMPOSITION AND USE THEREOF SHANGHAI DE NOVO PHARMATECH CO LTD (CN) 2022-10-26 — — EP disclosed
US-20220273659-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS NUVATION BIO OPERATING COMPANY LLC 2022-09-01 — — US disclosed
US-11332473-B2 Substituted pyrazolo[3,4-d]pyrimidines as Wee1 inhibitors NUVATION BIO INC. (US) 2022-05-17 — — US disclosed
US-11332473-B2 Substituted pyrazolo[3,4-d]pyrimidines as Wee1 inhibitors NUVATION BIO INC. (US) 2022-05-17 — — US disclosed
EP-3993802-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS Nuvation Bio Inc. (US) 2022-05-11 — — EP disclosed
US-11299493-B2 Heterocyclic compounds and uses thereof NUVATION BIO INC. (US) 2022-04-12 — — US disclosed
US-20040209892-A1 Heterocyclic compounds and methods of use U.S. PATENT OPERATIONS 2004-10-21 — — US disclosed
US-20040204437-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2004-10-14 — — US disclosed
WO-2004085425-A1 FUSED AZOLES SUCH AS 2,5-DISUBSTITUTED BENZIMIDAZOLES, BENZOXAZOLES AND BENZOTHIAZOLES AS KINASE INHIBITORS AMGEN INC (US) 2004-10-07 — — WO disclosed
US-20040087568-A1 Substituted anthranilic amide derivatives and methods of use AMGEN INC. 2004-05-06 — — US disclosed
US-20030225106-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-12-04 — — US disclosed
US-20030203922-A1 Substituted amine derivatives and methods of use AMGEN INC. 2003-10-30 — — US disclosed
US-20030195230-A1 Substituted amine derivatives and methods of use AMGEN INC. 2003-10-16 — — US disclosed
US-20030134836-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2003-07-17 — — US disclosed
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-07-03 — — US disclosed
US-20020147198-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2002-10-10 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (14 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11299493-B2 Heterocyclic compounds and uses thereof WEE1, WEE2, NME1 NR1H2 4452/4885ESR2 3367/4885HDAC1 454/4885
US-20230118115-A1 SUBSTITUTED PYRAZOLO[3,4-d]PYRIMIDINES AS WEE1 INHIBITORS WEE1, WEE2, DPYD NR1H2 4282/4885ESR2 3429/4885HDAC1 1750/4885
US-20230109104-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF WEE1, WEE2, NME1 NR1H2 4452/4885ESR2 3367/4885HDAC1 454/4885
US-20030225106-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC NR1H2 862/4885ESR2 2333/4885HDAC1 1359/4885
US-20040204437-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR NR1H2 613/4885ESR2 861/4885HDAC1 776/4885
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO NR1H2 587/4885ESR2 1967/4885HDAC1 829/4885
US-20030134836-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR NR1H2 613/4885ESR2 861/4885HDAC1 776/4885
US-20040209892-A1 Heterocyclic compounds and methods of use VHL, NQO1, HPGDS NR1H2 746/4885ESR2 1458/4885HDAC1 283/4885
US-20030203922-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 NR1H2 1340/4885ESR2 1768/4885HDAC1 971/4885
US-20220273659-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS CDK4, CDK6, CDK8 NR1H2 4055/4885ESR2 2185/4885HDAC1 212/4885
US-20040087568-A1 Substituted anthranilic amide derivatives and methods of use AADAC, ASPH, EGLN3 NR1H2 801/4885ESR2 2601/4885HDAC1 150/4885
US-20020147198-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR NR1H2 613/4885ESR2 861/4885HDAC1 776/4885
US-20030195230-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 NR1H2 1340/4885ESR2 1768/4885HDAC1 971/4885
US-11332473-B2 Substituted pyrazolo[3,4-d]pyrimidines as Wee1 inhibitors WEE1, WEE2, DPYD NR1H2 4282/4885ESR2 3429/4885HDAC1 1750/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.