SCHEMBL54802

SCHEMBL54802

Nc1ccc(OCCO)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.49
PIK3CA P42336 2/20 0.49
PIK3CB P42338 2/20 0.49
PI4KA P42356 2/20 0.49
PIK3CG P48736 2/20 0.49
PI4KB Q9UBF8 2/20 0.49
KDM4E B2RXH2 6/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
POLB P06746 2/20 0.41
RAB9A P51151 2/20 0.41
LOX P28300 1/20 0.41
AOC3 Q16853 1/20 0.41
ALDH1A1 P00352 2/20 0.40
KEAP1 Q14145 1/20 0.40
BRCA1 P38398 1/20 0.40
HBB P68871 1/20 0.40
HSD17B10 Q99714 1/20 0.40
RECQL P46063 1/20 0.38
APP P05067 1/20 0.38

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
SCHEMBL28397163 0.89 APP (0.51) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL29837272 0.87 KDM4E (0.50) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL23634035 0.87 KDM4E (0.50) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL29837257 0.85 KDM4E (0.48) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL29837259 0.85 KDM4E (0.48) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL30461568 0.84 KDM4E (0.49) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL16943516 0.84 KDM4E (0.49) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL23634034 0.83 KDM4E (0.47) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL13863152 0.83 APP (0.47) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL23634037 0.82 KDM4E (0.46) KDM4EMEN1KMT2APOLBRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1030838-B1 METHOD OF SYNTHESIS OF PYRROLE AMIDES PFIZER PROD INC (US) 2003-01-22 EP claimed
US-6262272-B1 REACTING FURAN CARBOXYLIC ACID DERIVATIVE WITH ACID CHLORIDE OR ACID ANHYDRIDE IN INERT SOLVENT CONTAINING ACID RECEPTOR; ADDING AROMATIC AMINE COMPOUND TO FORM PYRROLE CARBOXAMIDE COMPOUND PFIZER INC 2001-07-17 US claimed
EP-1030838-A1 METHOD OF SYNTHESIS OF PYRROLE AMIDES Pfizer Products Inc. (US) 2000-08-30 EP claimed
WO-1999025684-A1 METHOD OF SYNTHESIS OF PYRROLE AMIDES PFIZER PRODUCTS INC. (US) 1999-05-27 WO claimed
CN-113710664-B JAK1 selective kinase inhibitors 迪哲(江苏)医药股份有限公司 2024-01-26 CN disclosed
US-20220220096-A1 JAK1 SELECTIVE KINASE INHIBITOR DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD. (CN) 2022-07-14 US disclosed
US-11351168-B1 2,4-disubstituted pyrimidines useful as kinase inhibitors CELGENE CAR LLC (BM) 2022-06-07 US disclosed
CN-110291455-B Liquid crystal aligning agent, liquid crystal alignment film and method for producing the same, liquid crystal element and polymer JSR株式会社 2022-03-22 CN disclosed
US-11197867-B2 Aminopyrimidinyl compounds PFIZER INC. (US) 2021-12-14 US disclosed
US-20210377495-A1 AMINOPYRIMIDINYL COMPOUNDS PFIZER INC. (US) 2021-12-02 US disclosed
CN-108047142-B Heteroaryl compounds and uses thereof 西建卡尔有限责任公司 2021-08-03 CN disclosed
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-06-03 US disclosed
US-20040038969-A1 Vanilloid receptor ligands and their use in treatments AMGEN, INC. 2004-02-26 US disclosed
US-20040029902-A1 Antiinflamamtory agents MIDCAP FINANCIAL TRUST 2004-02-12 US disclosed
WO-2003099284-A1 AMINO-PYRIDINE, -PYRIDINE AND PYRIDAZINE DERIVATIVES FOR USE AS VANILLOID RECEPTOR LIGANDS FOR THE TREATMENT OF PAIN AMGEN INC. (US) 2003-12-04 WO disclosed
WO-2003063794-A2 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2003-08-07 WO disclosed
EP-1030838-B1 METHOD OF SYNTHESIS OF PYRROLE AMIDES PFIZER PROD INC (US) 2003-01-22 EP disclosed
US-6262272-B1 REACTING FURAN CARBOXYLIC ACID DERIVATIVE WITH ACID CHLORIDE OR ACID ANHYDRIDE IN INERT SOLVENT CONTAINING ACID RECEPTOR; ADDING AROMATIC AMINE COMPOUND TO FORM PYRROLE CARBOXAMIDE COMPOUND PFIZER INC 2001-07-17 US disclosed
EP-1030838-A1 METHOD OF SYNTHESIS OF PYRROLE AMIDES Pfizer Products Inc. (US) 2000-08-30 EP disclosed
WO-1999025684-A1 METHOD OF SYNTHESIS OF PYRROLE AMIDES PFIZER PRODUCTS INC. (US) 1999-05-27 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 (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-20220220096-A1 JAK1 SELECTIVE KINASE INHIBITOR JAK1, JAK2, JAK3 PIK3CD 155/4885PIK3CA 198/4885PIK3CB 217/4885
US-20040029902-A1 Antiinflamamtory agents FCER2, FCGR1A, HNMT PIK3CD 941/4885PIK3CA 1559/4885PIK3CB 765/4885
US-11197867-B2 Aminopyrimidinyl compounds CNKSR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, SSTR3 PIK3CD 3242/4885PIK3CA 3238/4885PIK3CB 2949/4885
US-11351168-B1 2,4-disubstituted pyrimidines useful as kinase inhibitors DCK, CDK2, DTYMK PIK3CD 58/4885PIK3CA 17/4885PIK3CB 41/4885
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, F12 PIK3CD 1738/4885PIK3CA 524/4885PIK3CB 1711/4885
US-20040038969-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 PIK3CD 3017/4885PIK3CA 2051/4885PIK3CB 2685/4885

“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.