Sugi Predict

Sugi Predict / Compounds / SCHEMBL3039870

SCHEMBL3039870

SCHEMBL3039870

OB(O)c1cc(C(F)(F)F)nn1C1CCCCO1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 2/20 0.37
▸ CYP4A11 Q02928 2/20 0.37
▸ NR3C2 P08235 1/20 0.34
▸ ATR Q13535 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ RXRA P19793 1/20 0.33
▸ RXRB P28702 1/20 0.33
▸ RXRG P48443 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ RET P07949 1/20 0.31

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
SCHEMBL8932232 0.82 CYP4F2 (0.44) CYP4F2CYP4A11NR3C2ATRGAA
SCHEMBL29223502 0.81 CYP4F2 (0.35) CYP4F2CYP4A11NR3C2ATRGAA
SCHEMBL3037205 0.80 CYP4F2 (0.42) CYP4F2CYP4A11ATRGAARXRA
SCHEMBL14726472 0.80 CYP4F2 (0.42) CYP4F2CYP4A11NR3C2ATRGAA
SCHEMBL22604901 0.80 GAA (0.42) CYP4F2CYP4A11NR3C2ATRGAA
SCHEMBL18758369 0.80 CYP4F2 (0.37) CYP4F2CYP4A11NR3C2ATRGAA
SCHEMBL25407969 0.78 RET (0.43) CYP4F2CYP4A11ATRGAARXRA
SCHEMBL22824028 0.76 MEN1 (0.37) CYP4F2CYP4A11NR3C2ATRGAA
SCHEMBL30705605 0.76 RXRA (0.47) CYP4F2CYP4A11NR3C2ATRGAA
SCHEMBL3631508 0.75 CYP4F2 (0.34) CYP4F2CYP4A11NR3C2ATRGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295166-A1 ATR INHIBITORS AND USES THEREOF ANTENGENE DISCOVERY LIMITED (CN) 2023-09-21 — — US disclosed
EP-4192836-A1 ATR INHIBITORS AND USES THEREOF ANTENGENE DISCOVERY LIMITED (CN) 2023-06-14 — — EP disclosed
CN-111630054-B Substituted pyrazolo [3,4-d ] pyrimidine compounds as RET kinase inhibitors 奥瑞生物药品公司 2023-05-09 — — CN disclosed
US-11524963-B2 Substituted pyrazolo[3,4-d]pyrimidines as RET kinase inhibitors ARRAY BIOPHARMA INC. (US) 2022-12-13 — — US disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 — — US disclosed
WO-2022028598-A1 ATR INHIBITORS AND USES THEREOF SHANGHAI ANTENGENE CORPORATION LIMITED (CN) 2022-02-10 — — WO disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 — — US disclosed
US-20200399279-A1 SUBSTITUTED PYRAZOLO[3,4-d]PYRIMIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA, INC. 2020-12-24 — — US disclosed
EP-3740490-A1 SUBSTITUTED PYRAZOLO[3,4-D]PYRIMIDINE COMPOUNDS AS RET KINASE INHIBITORS Array Biopharma, Inc. (US) 2020-11-25 — — EP disclosed
CN-111630054-A Substituted pyrazolo [3,4-d ] pyrimidine compounds as RET kinase inhibitors 奥瑞生物药品公司 2020-09-04 — — CN disclosed
US-20140343086-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF ABL1, ABL2 AND BCR-ABL1 NOVARTIS AG (CH) 2014-11-20 — — US disclosed
US-20140303121-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PLEXXIKON INC. 2014-10-09 — — US disclosed
WO-2014145051-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ZHANG JIAZHONG (US) 2014-09-18 — — WO disclosed
US-8829195-B2 Compounds and compositions for inhibiting the activity of ABL1, ABL2 and BCR-ABL1 NOVARTIS AG (CH) 2014-09-09 — — US disclosed
US-20130310395-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF ABL1, ABL2 AND BCR-ABL1 NOVARTIS AG (CH) 2013-11-21 — — US disclosed
WO-2013171639-A1 BENZAMIDE DERIVATIVES FOR INHIBITING THE ACTIVITY OF ABL1, ABL2 AND BCR-ABL1 NOVARTIS AG (CH) 2013-11-21 — — WO disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 — — US disclosed
US-8314094-B2 Benzoxazinone derivative MSD K.K (JP) 2012-11-20 — — US disclosed
US-20100210636-A1 BENZOXAZINONE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. 2010-08-19 — — US disclosed
EP-2210880-A1 BENZOXAZINONE DERIVATIVE Banyu Pharmaceutical Co., Ltd. (JP) 2010-07-28 — — EP 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 (7 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-20140343086-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF ABL1, ABL2 AND BCR-ABL1 ABL1, ABL2, BCR CYP4F2 1526/4885CYP4A11 1544/4885NR3C2 2032/4885
US-20140303121-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF CYP11B2, CYP11B1, CYP2C19 CYP4F2 34/4885CYP4A11 26/4885NR3C2 317/4885
US-20200399279-A1 SUBSTITUTED PYRAZOLO[3,4-d]PYRIMIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF CYP4F2 1940/4885CYP4A11 2458/4885NR3C2 1125/4885
US-11524963-B2 Substituted pyrazolo[3,4-d]pyrimidines as RET kinase inhibitors RET, ROR1, BRAF CYP4F2 1933/4885CYP4A11 2395/4885NR3C2 1082/4885
US-20230295166-A1 ATR INHIBITORS AND USES THEREOF ATR, CHEK1, CHEK2 CYP4F2 4245/4885CYP4A11 4459/4885NR3C2 4033/4885
US-20130310395-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF ABL1, ABL2 AND BCR-ABL1 ABL1, ABL2, BCR CYP4F2 1526/4885CYP4A11 1544/4885NR3C2 2032/4885
US-20100210636-A1 BENZOXAZINONE DERIVATIVE HAX1, CYP4X1, CYP19A1 CYP4F2 205/4885CYP4A11 50/4885NR3C2 113/4885

“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.