SCHEMBL5243258

SCHEMBL5243258

CN(C)CCCN(C)C(=O)c1cc2nccc(Cl)c2s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.40
MAPT P10636 3/20 0.39
MITF O75030 2/20 0.39
ALDH1A1 P00352 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
MTOR P42345 1/20 0.38
MEN1 O00255 2/20 0.38
AGTR1 P30556 1/20 0.38
SYK P43405 1/20 0.37
FERMT2 Q96AC1 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
CSNK2A2 P19784 1/20 0.36

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
SCHEMBL5242875 0.93 HRH4 (0.42) KMT2AMAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL5242906 0.88 KMT2A (0.41) KMT2AMAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL3569070 0.83 ICAM1 (0.40) KMT2AALDH1A1SMN1; SMN2NPC1LMNA
SCHEMBL307433 0.81 GRIN3B (0.36) KMT2ASMN1; SMN2NPC1LMNAHPGD
SCHEMBL6302251 0.80 HDAC3 (0.44) NPC1HTTHDAC3TUBB4ATUBB
SCHEMBL5242799 0.79 KMT2A (0.36) KMT2AALDH1A1SMN1; SMN2NPC1KDM4E
SCHEMBL4593226 0.79 GRIN3B (0.37) KMT2ASMN1; SMN2NPC1LMNARAB9A
SCHEMBL6302074 0.78 KMT2A (0.41) KMT2AMAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL6301936 0.78 PDE7B (0.45) KMT2ANPC1KDM4EHPGDRAB9A
SCHEMBL10288661 0.76 USP7 (0.42) KMT2AALDH1A1SMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1660504-B1 THIENOPYRIDINE-PHENYLACET AMIDES AND THEIR DERIVATIVES USEFUL AS NEW ANTI-ANGIOGENIC AGENTS PFIZER (US) 2008-10-29 EP disclosed
EP-1515975-B1 BENZOFUSED HETEROARYL AMIDE DERIVATIVES OF THIENOPYRIDINES USEFUL AS THERAPEUTIC AGENTS, PHARMACEUTICAL COMPOSITIONS INCLUDING THE SAME, AND METHODS FOR THEIR USE PFIZER (US) 2007-09-19 EP disclosed
US-7208500-B2 Thienopyridine-phenylacetamides and their derivatives useful as new anti-angiogenic agents AGOURON PHARMACEUTICALS, INC. (US) 2007-04-24 US disclosed
US-7208500-B2 Thienopyridine-phenylacetamides and their derivatives useful as new anti-angiogenic agents AGOURON PHARMACEUTICALS, INC. (US) 2007-04-24 US disclosed
US-7045528-B2 Benzofused heterozryl amide derivatives of thienopyridines useful as therapeutic agents, pharmaceutical compositions including the same, and methods for their use AGOURON PHARMACEUTICALS, INC. (US) 2006-05-16 US disclosed
US-20060079548-A1 Benzofused heterozryl amide derivatives of thienopyridines useful as therapeutic agents, pharmaceutical compositions including the same, and methods for their use AGOURON PHARMACEUTICALS, INC. 2006-04-13 US disclosed
US-20050070508-A1 Napthalene carboxamides and their derivatives useful as new anti-angiogenic agents AGOURON PHARMACEUTICALS, INC. 2005-03-31 US disclosed
US-6869962-B2 Benzofused heterozryl amide derivatives of thienopyridines useful as therapeutic agents, pharmaceutical compositions including the same, and methods for their use AGOURON PHARMACEUTICALS, INC. (US) 2005-03-22 US disclosed
US-20040186126-A1 Benzofused heterozryl amide derivatives of thienopyridines useful as therapeutic agents, pharmaceutical compositions including the same, and methods for their use AGOURON PHARMACEUTICALS, INC. 2004-09-23 US disclosed
US-20040009965-A1 Benzofused heterozryl amide derivatives of thienopyridines useful as therapeutic agents, pharmaceutical compositions including the same, and methods for their use AGOURON PHARMACEUTICALS, INC. 2004-01-15 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 (4 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-20040186126-A1 Benzofused heterozryl amide derivatives of thienopyridines useful as therapeutic agents, pharmaceutical compositions including the same, and methods for their use DPYD, DHFR, TYMP KMT2A 2186/4885MAPT 4317/4885MITF 1100/4885
US-20050070508-A1 Napthalene carboxamides and their derivatives useful as new anti-angiogenic agents CCNA1, CCNA2, CCNT1 KMT2A 563/4885MAPT 4530/4885MITF 2280/4885
US-20040009965-A1 Benzofused heterozryl amide derivatives of thienopyridines useful as therapeutic agents, pharmaceutical compositions including the same, and methods for their use DPYD, DHFR, TYMP KMT2A 2186/4885MAPT 4317/4885MITF 1100/4885
US-20060079548-A1 Benzofused heterozryl amide derivatives of thienopyridines useful as therapeutic agents, pharmaceutical compositions including the same, and methods for their use TPD52L2, DPYD, CCND2 KMT2A 2814/4885MAPT 4234/4885MITF 1143/4885

“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.