SCHEMBL4805737

SCHEMBL4805737

COC(=O)c1cc2cn[nH]c2cn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 3/20 0.51
GABRA1 P14867 3/20 0.50
GABRG2 P18507 3/20 0.50
GABRB3 P28472 3/20 0.50
GABRA5 P31644 3/20 0.50
GABRA3 P34903 3/20 0.50
GABRP O00591 2/20 0.50
GABRD O14764 2/20 0.50
GABRB1 P18505 2/20 0.50
GABRA2 P47869 2/20 0.50
GABRB2 P47870 2/20 0.50
GABRA4 P48169 2/20 0.50
GABRE P78334 2/20 0.50
GABRA6 Q16445 2/20 0.50
GABRG1 Q8N1C3 2/20 0.50
GABRG3 Q99928 2/20 0.50
GABRQ Q9UN88 2/20 0.50
MAPT P10636 2/20 0.50
KDM4E B2RXH2 1/20 0.50
PDE5A O76074 1/20 0.50

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
SCHEMBL30038884 0.87 MAPK1 (0.47) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL24339322 0.87 MAPK1 (0.47) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL4995761 0.80 SMYD3 (0.52) SMYD3GABRA1GABRG2GABRB3GABRA5
SCHEMBL10184766 0.79 MAPT (0.57) SMYD3GABRA1GABRG2GABRB3GABRA5
SCHEMBL19691196 0.78 SMYD3 (0.55) SMYD3MAPTKDM4EALDH1A1HPGD
SCHEMBL20187199 0.78 SMYD3 (0.51) SMYD3MAPTKDM4EALDH1A1HPGD
SCHEMBL29721954 0.76 GABRA1 (0.52) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL3830369 0.76 GABRA1 (0.52) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL22446005 0.74 TSHR (0.50) MAPTKDM4EALDH1A1LMNACYP1A2
SCHEMBL29643714 0.74 NPC1 (0.58) ROCK2ROCK1NPC1RAB9AMEN1

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025096957-A1 RAS-PI3K INHIBITORS AND USES THEREOF VIVIDION THERAPEUTICS, INC. (US) 2025-05-08 WO disclosed
CN-114585609-B 2H-indazole derivatives and their use in the treatment of diseases 比奥根MA公司 2024-07-30 CN disclosed
US-20230002361-A1 2H-INDAZOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE BIOGEN MA INC. 2023-01-05 US disclosed
EP-3990432-A1 2H-INDAZOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE Biogen MA Inc. (US) 2022-05-04 EP disclosed
WO-2020263967-A1 2H-INDAZOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE BIOGEN MA INC. (US) 2020-12-30 WO disclosed
US-8198456-B2 e.g. 1,4-dihydro-4-(1H-indazol-5-yl)-2,6-dimethyl-3,5-pyridinedicarbonitrile; c-Met tyrosine kinase inhibitor; antitumor agent; lung, liver, gastric and breast solid tumors; pancreatic cancer, glioma, and hepatocellular carcinoma BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-06-12 US disclosed
US-20090170846-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC 2009-07-02 US disclosed
US-20090170846-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC 2009-07-02 US disclosed
US-7468375-B2 Inhibitors of the HIV integrase enzyme PFIZER INC. (US) 2008-12-23 US disclosed
US-7468375-B2 Inhibitors of the HIV integrase enzyme PFIZER INC. (US) 2008-12-23 US disclosed
US-7468375-B2 Inhibitors of the HIV integrase enzyme PFIZER INC. (US) 2008-12-23 US disclosed
US-20080176833-A1 DIHYDROPYRIDINE DERIVATIVES AS USEFUL AS PROTEIN KINASE INHIBITORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2008-07-24 US disclosed
WO-2008071451-A1 DIHYDROPYRIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-19 WO disclosed
US-20070232644-A1 1-(2,4-difluorobenzyl)-N-hydroxy-3-{[3-(methylsulfonyl)pyrrolidin-1-yl]methyl}-1H-pyrrolo[2,3-c]pyridine-5-carboxamide;acquired immunodeficiency syndrome (\"AIDS\"), and AIDS related complex (\"ARC\") PFIZER INC. 2007-10-04 US disclosed
US-20070232644-A1 1-(2,4-difluorobenzyl)-N-hydroxy-3-{[3-(methylsulfonyl)pyrrolidin-1-yl]methyl}-1H-pyrrolo[2,3-c]pyridine-5-carboxamide;acquired immunodeficiency syndrome (\"AIDS\"), and AIDS related complex (\"ARC\") PFIZER INC. 2007-10-04 US disclosed
WO-2007039802-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER PRODUCTS INC. (US) 2007-04-12 WO disclosed
WO-2006027694-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC. (US) 2006-03-16 WO disclosed
US-20050277662-A1 Inhibitors of the HIV integrase enzyme AGOURON PHARMACEUTICALS, INC 2005-12-15 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 (5 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-20090170846-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME IMPDH1, IMPA1, TYMP SMYD3 1511/4885GABRA1 3871/4885GABRG2 3919/4885
US-20070232644-A1 1-(2,4-difluorobenzyl)-N-hydroxy-3-{[3-(methylsulfonyl)pyrrolidin-1-yl]methyl}-1H-pyrrolo[2,3-c]pyridine-5-carboxamide;acquired immunodeficiency syndrome (\"AIDS\"), and AIDS related complex (\"ARC\") AP1M1, AP1G1, AP3B1 SMYD3 1410/4885GABRA1 3081/4885GABRG2 3460/4885
US-20050277662-A1 Inhibitors of the HIV integrase enzyme IMPDH1, INTS9, TYMP SMYD3 1494/4885GABRA1 3754/4885GABRG2 3844/4885
US-20230002361-A1 2H-INDAZOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE IRAK4, IRAK3, IRAK2 SMYD3 2149/4885GABRA1 3474/4885GABRG2 3594/4885
US-20080176833-A1 DIHYDROPYRIDINE DERIVATIVES AS USEFUL AS PROTEIN KINASE INHIBITORS MET, DMPK, RET SMYD3 2432/4885GABRA1 2962/4885GABRG2 2571/4885

“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.