SCHEMBL6662432

SCHEMBL6662432

C#CCNC(=O)n1c(C)cc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
RXFP1 Q9HBX9 1/20 0.45
MAPT P10636 6/20 0.43
HPGD P15428 3/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 2/20 0.39
CYP19A1 P11511 1/20 0.38
ASAH1 Q13510 2/20 0.37
POLB P06746 1/20 0.37
PKM P14618 1/20 0.37
CCR2 P41597 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KDM4E B2RXH2 2/20 0.36
THRB P10828 1/20 0.36
RECQL P46063 1/20 0.36
GAA P10253 1/20 0.36
GLS O94925 1/20 0.35

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
SCHEMBL6747189 0.82 MEN1 (0.45) KMT2AMEN1RXFP1MAPTHPGD
SCHEMBL6750905 0.78 CYP19A1 (0.49) KMT2AMEN1RXFP1MAPTHPGD
SCHEMBL27909522 0.77 KMT2A (0.45) KMT2AMEN1RXFP1MAPTHPGD
SCHEMBL6750946 0.77 MEN1 (0.41) KMT2AMEN1RXFP1MAPTHPGD
SCHEMBL27628310 0.77 CYP19A1 (0.45) KMT2AMEN1RXFP1MAPTHPGD
SCHEMBL5113851 0.74 KMT2A (0.49) KMT2AMEN1RXFP1MAPTHPGD
SCHEMBL6490326 0.72 RORC (0.44) KMT2AMEN1MAPTHPGDALDH1A1
SCHEMBL6490943 0.72 CYP19A1 (0.43) KMT2AMEN1RXFP1MAPTHPGD
SCHEMBL6750910 0.72 GAA (0.46) KMT2AMEN1RXFP1ALDH1A1CYP1A2
SCHEMBL5446082 0.72 MAPT (0.46) KMT2AMEN1RXFP1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6833456-B2 Heterocyclic sulfides such as 5-(2-(2R-Hydroxymethyl-pyrrolidine-1-carbonyl)-thieno(3,2-b)pyridin-7 -ylamino)-2-methyl-indole-1-carboxylic acid methylamide, used as angiogenesis inhibitors AGOURON PHARMACEUTICALS, INC. 2004-12-21 US disclosed
EP-1483268-A2 INDOLYL-UREA DERIVATIVES OF THIENOPYRIDINES USEFUL AS ANTI-ANGIOGENIC AGENTS PFIZER INC. (US) 2004-12-08 EP disclosed
EP-1408963-A1 2- 5-(5-CARBAMIMIDOYL-1 i H /i -HETEROARYL)-6-HYDROXYBIPHENYL-3-YL]-SUCCINIC ACID DERIVATIVES AS FACTOR VIIA INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-04-21 EP disclosed
US-20040019065-A1 Indolyl-urea derivatives of thienopyridines useful as antiangiogenic agents, and methods for their use ROMINES WILLIAM HENRY (US) 2004-01-29 US disclosed
WO-2003074529-A2 iNDOLYL-UREA DERIVATIVES OF THIENOPYRIDINES USEFUL AS ANTI-ANGIOGENIC AGENTS PFIZER INC. (US) 2003-09-12 WO disclosed
WO-2003006011-A1 2-[5-(5-CARBAMIMIDOYL-1H-HETEROARYL)-6-HYDROXYBIPHENYL-3-YL]-SUCCINIC ACID DERIVATIVES AS FACTOR VIIA INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2003-01-23 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 (1 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-20040019065-A1 Indolyl-urea derivatives of thienopyridines useful as antiangiogenic agents, and methods for their use CDKN1A, CCNA1, TYMP KMT2A 3784/4885MEN1 1747/4885RXFP1 380/4885

“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.