SCHEMBL10077301

SCHEMBL10077301

CCc1cnc2[nH]ncc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.40
▸ MAPT P10636 1/20 0.40
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ PARP1 P09874 1/20 0.37
▸ PIK3C3 Q8NEB9 2/20 0.37
▸ NAMPT P43490 3/20 0.35
▸ FGFR1 P11362 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ PTK2B Q14289 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ TRPA1 O75762 1/20 0.34
▸ IDO1 P14902 1/20 0.34
▸ CDC7 O00311 1/20 0.34
▸ TNIK Q9UKE5 1/20 0.34

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
SCHEMBL1574435 0.80 PTGS2 (0.38) ALDH1A1MAPTMEN1KMT2AFGFR1
SCHEMBL11160320 0.80 NAMPT (0.37) PIK3C3NAMPT
SCHEMBL11968498 0.80 PIK3C3 (0.37) PIK3C3NAMPTFGFR1KDRTNIK
SCHEMBL4761795 0.80 NAMPT (0.37) ALDH1A1MAPTMEN1KMT2APIK3C3
SCHEMBL1434989 0.80 MAPK1 (0.39) PIK3C3NAMPTTNIK
SCHEMBL18760610 0.79 CYP1A2 (0.36) ALDH1A1PIK3C3NAMPTFGFR1KDR
SCHEMBL1434596 0.79 PIK3C3 (0.39) ALDH1A1MAPTPIK3C3NAMPTFGFR1
SCHEMBL13187100 0.79 PIK3C3 (0.35) ALDH1A1MAPTMEN1KMT2APIK3C3
SCHEMBL91324 0.73 KDR (0.60) FGFR1KDR
SCHEMBL29858603 0.73 KDR (0.60) FGFR1KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024151833-A1 SPIRO DERIVATIVES AS M4 ACTIVATORS/MODULATORS AND USES THEREOF CEREVEL THERAPEUTICS, LLC (US) 2024-07-18 — — WO disclosed
US-11814379-B2 Cyano quinoline amide compounds as HER2 inhibitors and methods of use DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-11-14 — — US disclosed
US-20230271939-A1 4-ETHYNYLPYRIDINE DERIVATIVES USEFUL AS GCN2 INHIBITORS IP2IPO INNOVATIONS LIMITED (GB) 2023-08-31 — — US disclosed
US-20230203000-A1 INHIBITORS OF APOL1 AND METHODS OF USING SAME VERTEX PHARMACEUTICALS INCORPORATED 2023-06-29 — — US disclosed
US-20230023124-A1 CANCER TREATMENTS TARGETING CANCER STEM CELLS REMEDY PLAN, INC. (US) 2023-01-26 — — US disclosed
WO-2023287793-A1 THERAPEUTIC COMPOUNDS AND METHODS GENENTECH, INC. (US) 2023-01-19 — — WO disclosed
WO-2022140527-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS AJAX THERAPEUTICS, INC. (US) 2022-06-30 — — WO disclosed
EP-3399968-B1 SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE CS PHARMATECH LTD (KY) 2021-10-20 — — EP disclosed
US-20210087174-A1 ARYL AND HETEROARYL SUBSTITUTED INDOLE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-03-25 — — US disclosed
US-20200339581-A1 AMINO INDOLE COMPOUNDS USEFUL AS TLR INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-10-29 — — US disclosed
US-20120270893-A1 SUBSTITUTED ACETYL-COA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2012-10-25 — — US disclosed
US-8242280-B2 morpholin-4-yl-{3-[3-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl-phenyl}-methanone; FMS-like tyrosine kinase 3 (FLT3), is implicated in cancers, including leukemia, such as acute myeloid leukemia (AML), acute lymphoblastic leukemia (ALL), and myelodysplasia SGX PHARMACEUTICALS, INC. (US) 2012-08-14 — — US disclosed
EP-2081922-B1 5,6-Ring annulated indole derivatives and use thereof SCHERING CORP (US) 2012-02-01 — — EP disclosed
US-20110160232-A1 CERTAIN CHEMICAL ENTITIES AND THERAPEUTIC USES THEREOF INTELLIKINE LLC 2011-06-30 — — US disclosed
WO-2011068821-A1 BENZIMIDAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-09 — — WO disclosed
US-7919504-B2 Thiadiazole modulators of PKB AMGEN INC. (US) 2011-04-05 — — US disclosed
WO-2010051188-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME CORP. (US) 2010-05-06 — — WO disclosed
US-20090298836-A1 Thiadiazole modulators of PKB AMGEN INC. (US) 2009-12-03 — — US disclosed
US-20080261921-A1 FUSED RING HETEROCYCLE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2008-10-23 — — US disclosed
WO-2008082484-A1 4,5-RING ANNULATED INDOLE DERIVATIVES FOR TREATING OR PREVENTING OF HCV AND RELATED VIRAL INFECTIONS SCHERING CORPORATION (US) 2008-07-10 — — WO 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 (10 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-20230271939-A1 4-ETHYNYLPYRIDINE DERIVATIVES USEFUL AS GCN2 INHIBITORS EIF2AK4, GCN1, EIF5B ALDH1A1 2504/4885MAPT 4473/4885MEN1 1032/4885
US-11814379-B2 Cyano quinoline amide compounds as HER2 inhibitors and methods of use ERBB2, EGFR, ERBB3 ALDH1A1 4269/4885MAPT 2629/4885MEN1 2320/4885
US-20230203000-A1 INHIBITORS OF APOL1 AND METHODS OF USING SAME APOL1, PNLIP, RNASE1 ALDH1A1 4089/4885MAPT 179/4885MEN1 1755/4885
US-20090298836-A1 Thiadiazole modulators of PKB PDK1, PDK2, MTOR ALDH1A1 2642/4885MAPT 3612/4885MEN1 2594/4885
US-20080261921-A1 FUSED RING HETEROCYCLE KINASE MODULATORS MAP3K20, MAP3K19, MAP4K2 ALDH1A1 4191/4885MAPT 2466/4885MEN1 3329/4885
US-20210087174-A1 ARYL AND HETEROARYL SUBSTITUTED INDOLE COMPOUNDS TLR7, TLR1, TLR9 ALDH1A1 1228/4885MAPT 4617/4885MEN1 3727/4885
US-20110160232-A1 CERTAIN CHEMICAL ENTITIES AND THERAPEUTIC USES THEREOF PIK3CA, PIK3C3, PRKACA ALDH1A1 2209/4885MAPT 1095/4885MEN1 1689/4885
US-20200339581-A1 AMINO INDOLE COMPOUNDS USEFUL AS TLR INHIBITORS TLR7, TLR1, TLR9 ALDH1A1 3139/4885MAPT 4608/4885MEN1 3424/4885
US-20120270893-A1 SUBSTITUTED ACETYL-COA CARBOXYLASE INHIBITORS ACACA, ACACB, ACAT1 ALDH1A1 105/4885MAPT 1315/4885MEN1 3794/4885
US-20230023124-A1 CANCER TREATMENTS TARGETING CANCER STEM CELLS MCL1, KIT, GLI1 ALDH1A1 23/4885MAPT 4472/4885MEN1 248/4885

“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.

Send feedback