SCHEMBL3740623

SCHEMBL3740623

O=c1cc(CCNc2ccnc(Cc3ccc(Br)cc3)n2)cc[nH]1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GPR84 Q9NQS5 3/20 0.39
▸ CCNC P24863 1/20 0.34
▸ CDK8 P49336 1/20 0.34
▸ MRGPRX1 Q96LB2 1/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ ABL1 P00519 1/20 0.32
▸ RIN1 Q13671 1/20 0.32
▸ TAAR1 Q96RJ0 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ IP6K1 Q92551 1/20 0.32
▸ ACHE P22303 3/20 0.32
▸ HTT P42858 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ HRH3 Q9Y5N1 1/20 0.31
▸ HTR7 P34969 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ AKT3 Q9Y243 1/20 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 0.72 CYP1A2 (0.60) GPR84MEN1KMT2AABL1RIN1
SCHEMBL26550437 0.65 MAPT (0.46) GPR84TAAR1SMN1; SMN2ACHECYP1A2
SCHEMBL3740627 0.62 CYP1A2 (0.36) GPR84MEN1KMT2ATAAR1SMN1; SMN2
SCHEMBL29348973 0.61 MEN1 (0.41) MEN1KMT2ATAAR1SMN1; SMN2HRH3
SCHEMBL30514405 0.61 SMN1; SMN2 (0.65) GPR84CCNCCDK8MEN1KMT2A
SCHEMBL8842468 0.60 MEN1 (0.50) MEN1KMT2ASMN1; SMN2HRH3NPC1
SCHEMBL28018144 0.60 GPR84 (0.43) GPR84ABL1RIN1
SCHEMBL22348782 0.60 CYP11B1 (0.47) SMN1; SMN2HRH3
SCHEMBL1804414 0.59 CYP1A2 (0.60) CCNCCDK8MEN1KMT2ATAAR1
SCHEMBL31491313 0.59 NPC1 (0.35) GPR84MEN1KMT2ASMN1; SMN2IP6K1

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 GPR84 17/4885CCNC 4821/4885CDK8 4223/4885

“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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