Sugi Predict

Sugi Predict / Compounds / SCHEMBL2029613

SCHEMBL2029613

SCHEMBL2029613

CC(C)(C)OC(=O)Nc1cc(F)ccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 1/20 0.46
▸ GRM5 P41594 2/20 0.44
▸ GSK3B P49841 1/20 0.44
▸ DYRK1A Q13627 1/20 0.44
▸ NPC1 O15118 2/20 0.43
▸ TP53 P04637 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43
▸ RELA Q04206 1/20 0.43
▸ IGF1R P08069 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ RIPK3 Q9Y572 1/20 0.42
▸ TGFBR1 P36897 1/20 0.42
▸ CDK9 P50750 1/20 0.41
▸ CYP17A1 P05093 1/20 0.41
▸ IRAK4 Q9NWZ3 1/20 0.41

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
SCHEMBL29402022 1.00 ATR (0.46) ATRGRM5GSK3BDYRK1ANPC1
SCHEMBL30953487 0.83 ATR (0.50) ATRGSK3BDYRK1ANPC1RAB9A
SCHEMBL1192656 0.83 ATR (0.50) ATRGSK3BDYRK1ANPC1RAB9A
SCHEMBL828560 0.83 TP53 (0.51) NPC1TP53RAB9ASMN1; SMN2CYP1A2
SCHEMBL1104982 0.82 RIPK3 (0.44) GSK3BRIPK3TGFBR1CDK9IRAK4
SCHEMBL7909650 0.82 ATR (0.46) ATRGSK3BDYRK1AIGF1RTGFBR1
SCHEMBL29393227 0.82 ATR (0.46) ATRGSK3BDYRK1ANPC1RAB9A
SCHEMBL1133582 0.82 ATR (0.46) ATRGSK3BDYRK1ANPC1RAB9A
SCHEMBL29840658 0.82 ATR (0.52) ATRGRM5GSK3BDYRK1ACYP2C9
SCHEMBL437390 0.82 ATR (0.52) ATRGRM5GSK3BDYRK1ACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025051157-A1 PYRIDINE-2(1H)-KETONE PRMT5-MTA INHIBITOR, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF 赛诺哈勃药业（成都）有限公司 2025-03-13 — — WO disclosed
US-11858930-B2 Fused bicyclic RAF inhibitors and methods for use thereof JAZZ PHARMACEUTICALS IRELAND LIMITED (IE) 2024-01-02 — — US disclosed
US-11858930-B2 Fused bicyclic RAF inhibitors and methods for use thereof JAZZ PHARMACEUTICALS IRELAND LIMITED (IE) 2024-01-02 — — US disclosed
CN-116601150-A Fused bicyclic RAF inhibitors and methods of use thereof 爵士制药爱尔兰有限公司 2023-08-15 — — CN disclosed
WO-2023129933-A2 6,6-FUSED HETEROCYCLIC COMPOUNDS AS METTL3 INHIBITORS 858 THERAPEUTICS, INC. (US) 2023-07-06 — — WO disclosed
WO-2023129933-A2 6,6-FUSED HETEROCYCLIC COMPOUNDS AS METTL3 INHIBITORS 858 THERAPEUTICS, INC. (US) 2023-07-06 — — WO disclosed
CN-116348465-A Chiral synthesis of fused bicyclic RAF inhibitors 爵士制药爱尔兰有限公司 2023-06-27 — — CN disclosed
WO-2022023447-A2 FUSED BICYCLIC RAF INHIBITORS AND METHODS FOR USE THEREOF JAZZ PHARMACEUTICALS IRELAND LIMITED (IE) 2022-02-03 — — WO disclosed
US-20220033398-A1 FUSED BICYCLIC RAF INHIBITORS AND METHODS FOR USE THEREOF U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS COLLATERAL TRUSTEE 2022-02-03 — — US disclosed
WO-2022023450-A1 CHIRAL SYNTHESIS OF FUSED BICYCLIC RAF INHIBITORS JAZZ PHARMACEUTICALS IRELAND LIMITED (IE) 2022-02-03 — — WO disclosed
WO-2012012320-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENIUM PHARMACEUTICALS, INC. (US) 2012-01-26 — — WO disclosed
US-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-19 — — US disclosed
US-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-19 — — US disclosed
WO-2011146591-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-11-24 — — WO disclosed
US-20110288117-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-11-24 — — US disclosed
US-20110288117-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-11-24 — — US disclosed
WO-2011079076-A1 SUBSTITUTED N-(1H-INDAZOL-4-YL)IMIDAZO[1, 2-A]PYRIDINE-3- CARBOXAMIDE COMPOUNDS AS CFMS INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-06-30 — — WO disclosed
US-20110003806-A1 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 — — US disclosed
US-20100197924-A1 PREPARATION OF AMINOTETRALIN COMPOUNDS MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-08-05 — — US disclosed
US-20100197924-A1 PREPARATION OF AMINOTETRALIN COMPOUNDS MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-08-05 — — 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 (6 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-20220033398-A1 FUSED BICYCLIC RAF INHIBITORS AND METHODS FOR USE THEREOF BRAF, RAF1, NRAS ATR 1639/4885GRM5 4437/4885GSK3B 212/4885
US-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 ATR 2641/4885GRM5 770/4885GSK3B 81/4885
US-11858930-B2 Fused bicyclic RAF inhibitors and methods for use thereof BRAF, RAF1, NRAS ATR 1639/4885GRM5 4437/4885GSK3B 212/4885
US-20100197924-A1 PREPARATION OF AMINOTETRALIN COMPOUNDS MAP4K5, MAP4K2, MAP4K1 ATR 1149/4885GRM5 1185/4885GSK3B 1223/4885
US-20110288117-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC5 ATR 2934/4885GRM5 661/4885GSK3B 72/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 ATR 2022/4885GRM5 3208/4885GSK3B 80/4885

“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.