SCHEMBL2886668

SCHEMBL2886668

Cc1ccc2c(ncn2Cc2ccnc3ccccc23)c1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.54
ALDH1A1 P00352 2/20 0.54
KMT2A Q03164 2/20 0.54
SMN1; SMN2 Q16637 3/20 0.50
POLB P06746 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
HPGD P15428 1/20 0.50
CYP2C19 P33261 1/20 0.50
BRD4 O60885 4/20 0.45
KCNH2 Q12809 1/20 0.45
TP53 P04637 1/20 0.42
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
TSHR P16473 1/20 0.39
TNF P01375 1/20 0.38
HTT P42858 1/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL5331605 0.81 MEN1 (0.43) MEN1ALDH1A1KMT2ASMN1; SMN2POLB
SCHEMBL2882688 0.81 POLB (0.49) MEN1ALDH1A1KMT2ASMN1; SMN2POLB
SCHEMBL2887162 0.81 LMNA (0.45) MEN1ALDH1A1KMT2ASMN1; SMN2POLB
SCHEMBL2887501 0.77 MEN1 (0.59) MEN1ALDH1A1KMT2ASMN1; SMN2POLB
SCHEMBL2881621 0.72 BRD4 (0.49) ALDH1A1SMN1; SMN2POLBBRD4KCNH2
SCHEMBL1982991 0.67 ALDH1A1 (0.59) MEN1ALDH1A1KMT2ASMN1; SMN2POLB
SCHEMBL18083010 0.64 MEN1 (0.68) MEN1ALDH1A1KMT2ASMN1; SMN2POLB
SCHEMBL9588427 0.64 KMT2A (0.57) MEN1ALDH1A1KMT2ASMN1; SMN2POLB
SCHEMBL23045652 0.64 MEN1 (0.61) MEN1ALDH1A1KMT2ASMN1; SMN2POLB
SCHEMBL17987142 0.64 CYP11B1 (0.69) MEN1ALDH1A1KMT2ASMN1; SMN2CYP2C9

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 11 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
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 MEN1 3522/4885ALDH1A1 1183/4885KMT2A 3039/4885
US-20100286190-A1 CERTAIN SUBSTITUTED UREAS, AS MODULATORS OF KINASE ACTIVITY UCK2, CHUK, TK1 MEN1 3522/4885ALDH1A1 1183/4885KMT2A 3039/4885

“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.