SCHEMBL2887633

SCHEMBL2887633

Brc1ccnc2c1ccn2Cc1ccncc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.42
CYP1B1 Q16678 1/20 0.38
CYP11B1 P15538 1/20 0.38
ALDH1A1 P00352 1/20 0.37
PKM P14618 1/20 0.37
FGFR1 P11362 1/20 0.36
FGFR4 P22455 1/20 0.36
USP2 O75604 1/20 0.36
MAPK10 P53779 1/20 0.36
NOTUM Q6P988 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HDAC6 Q9UBN7 2/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
YTHDC1 Q96MU7 1/20 0.35
HTR6 P50406 1/20 0.34
KDM4C Q9H3R0 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
SCHEMBL15712169 0.88 NOTUM (0.47) SCN9ANOTUML3MBTL1EGLN1HTR6
SCHEMBL20437193 0.85 TP53 (0.42) SCN9ACYP11B1FGFR1FGFR4L3MBTL1
SCHEMBL29663821 0.81 ABL1 (0.48) CYP11B1ALDH1A1L3MBTL1HDAC6HDAC4
SCHEMBL660025 0.81 ABL1 (0.48) CYP11B1ALDH1A1L3MBTL1HDAC6HDAC4
SCHEMBL2887839 0.81 SCN9A (0.42) SCN9ACYP11B1ALDH1A1PKMFGFR1
SCHEMBL16794890 0.80 MEN1 (0.51) ALDH1A1PKMFGFR1FGFR4USP2
SCHEMBL16804211 0.76 MAPK10 (0.46) ALDH1A1FGFR1FGFR4USP2MAPK10
SCHEMBL23107171 0.73 MGAM (0.36)
SCHEMBL23089414 0.73 CSNK2A1 (0.37) ALDH1A1
SCHEMBL29814622 0.73 CSNK2A1 (0.37) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8222421-B2 Certain substituted ureas, as modulators of kinase activity GILEAD CONNECTICUT, INC. (US) 2012-07-17 US disclosed
US-8222421-B2 Certain substituted ureas, as modulators of kinase activity GILEAD CONNECTICUT, INC. (US) 2012-07-17 US disclosed
US-8222421-B2 Certain substituted ureas, as modulators of kinase activity GILEAD CONNECTICUT, INC. (US) 2012-07-17 US disclosed
US-20100286190-A1 CERTAIN SUBSTITUTED UREAS, AS MODULATORS OF KINASE ACTIVITY CGI PHARMACEUTICALS, INC. 2010-11-11 US disclosed
US-20100286190-A1 CERTAIN SUBSTITUTED UREAS, AS MODULATORS OF KINASE ACTIVITY CGI PHARMACEUTICALS, INC. 2010-11-11 US disclosed
US-20100286190-A1 CERTAIN SUBSTITUTED UREAS, AS MODULATORS OF KINASE ACTIVITY CGI PHARMACEUTICALS, INC. 2010-11-11 US disclosed
US-7777040-B2 Certain substituted ureas, as modulators of kinase activity CGI PHARMACEUTICALS, INC. (US) 2010-08-17 US disclosed
US-7777040-B2 Certain substituted ureas, as modulators of kinase activity CGI PHARMACEUTICALS, INC. (US) 2010-08-17 US disclosed
US-7777040-B2 Certain substituted ureas, as modulators of kinase activity CGI PHARMACEUTICALS, INC. (US) 2010-08-17 US disclosed
WO-2007024294-A2 CERTAIN SUBSTITUTED UREAS, AS MODULATORS OF KINASE ACTIVITY CGI PHARMACEUTICALS, INC. (US) 2007-03-01 WO disclosed
WO-2007024294-A2 CERTAIN SUBSTITUTED UREAS, AS MODULATORS OF KINASE ACTIVITY CGI PHARMACEUTICALS, INC. (US) 2007-03-01 WO disclosed
US-20060270702-A1 Certain substituted ureas, as modulators of kinase activity GILEAD CONNECTICUT, INC. 2006-11-30 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 (2 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-20060270702-A1 Certain substituted ureas, as modulators of kinase activity UCK2, CHUK, TK1 SCN9A 4215/4885CYP1B1 2992/4885CYP11B1 1608/4885
US-20100286190-A1 CERTAIN SUBSTITUTED UREAS, AS MODULATORS OF KINASE ACTIVITY UCK2, CHUK, TK1 SCN9A 4215/4885CYP1B1 2992/4885CYP11B1 1608/4885

“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.