SCHEMBL3740627

SCHEMBL3740627

CN(CCc1cc[nH]c(=O)c1)c1ccnc(-c2ccc(Br)cc2)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 7/20 0.36
▸ CYP2C19 P33261 6/20 0.36
▸ ALDH1A1 P00352 5/20 0.36
▸ CYP2D6 P10635 5/20 0.36
▸ PPARD Q03181 1/20 0.35
▸ PPARA Q07869 1/20 0.35
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ POLB P06746 1/20 0.32
▸ BLM P54132 1/20 0.32
▸ HRH3 Q9Y5N1 2/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ ALOX15 P16050 2/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ HPGDS O60760 1/20 0.32
▸ CYP3A4 P08684 5/20 0.31
▸ USP2 O75604 4/20 0.31
▸ CLK4 Q9HAZ1 3/20 0.31

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
SCHEMBL386861 0.67 CYP1A2 (0.60) CYP1A2ALDH1A1MEN1KMT2APOLB
SCHEMBL3740623 0.62 GPR84 (0.39) CYP1A2MEN1KMT2AHRH3TAAR1
SCHEMBL388675 0.62 CYP1A2 (0.41) CYP1A2ALDH1A1MEN1KMT2APOLB
SCHEMBL13660763 0.59 GPR84 (0.43) CYP2C19GPR84
SCHEMBL28018144 0.59 GPR84 (0.43) TDP1HPGDSTP53GPR84
SCHEMBL2666289 0.58 MEN1 (0.56) CYP1A2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL21459319 0.58 TTK (0.41) ALDH1A1HRH3TAAR1LMNAGPR84
SCHEMBL389509 0.58 CYP1A2 (0.54) CYP1A2ALDH1A1PPARDPPARAKMT2A
SCHEMBL16210072 0.58 MEN1 (0.59) CYP1A2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL6362896 0.58 MEN1 (0.82) ALDH1A1MEN1KMT2APOLBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7803754-B2 Combination therapy for the treatment of diabetes and conditions related thereto and for the treatment of conditions ameliorated by increasing a blood GLP-1 level ARENA PHARMACEUTICALS, INC. (US) 2010-09-28 — — US disclosed
US-20070072804-A1 Combination therapy for the treatment of diabetes and conditions related thereto and for the treatment of conditions ameliorated by increasing a blood GLP-1 level ARENA PHARMACEUTICALS (US) 2007-03-29 — — 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 (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-20070072804-A1 Combination therapy for the treatment of diabetes and conditions related thereto and for the treatment of conditions ameliorated by increasing a blood GLP-1 level GLP1R, GPR119, GIPR CYP1A2 4033/4885CYP2C19 2935/4885ALDH1A1 2154/4885

“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.

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