SCHEMBL8401924

SCHEMBL8401924

CCc1cccc(-c2ncc(-c3ccc(Oc4ccccc4)cc3)c(C#N)c2F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 3/20 0.45
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ CYP1A2 P05177 2/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ MAPT P10636 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ CRHBP P24387 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ CRHR2 Q13324 1/20 0.43
▸ BTK Q06187 6/20 0.43
▸ KDM4E B2RXH2 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ SQOR Q9Y6N5 4/20 0.39

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
SCHEMBL6115396 0.89 GRM2 (0.45) GRM2MEN1KMT2AALDH1A1CYP1A2
SCHEMBL1162688 0.85 CD274 (0.42) GRM2MEN1KMT2AALDH1A1CYP1A2
SCHEMBL1162802 0.84 GRM2 (0.43) GRM2MEN1KMT2AALDH1A1CYP1A2
SCHEMBL1164851 0.81 CTSS (0.41) GRM2BTK
SCHEMBL1162692 0.76 MEN1 (0.47) GRM2MEN1KMT2AALDH1A1CYP1A2
SCHEMBL8402648 0.74 HPGD (0.46) MEN1KMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL8401922 0.73 BTK (0.73) BTK
SCHEMBL8569863 0.72 ALDH1A1 (0.51) GRM2MEN1KMT2AALDH1A1CYP1A2
SCHEMBL1162675 0.71 ALDH1A1 (0.50) GRM2MEN1KMT2AALDH1A1CYP1A2
SCHEMBL10089394 0.70 ALDH1A1 (0.51) MEN1KMT2AALDH1A1KDM4EHPGD

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-8846673-B2 Azaindazoles as kinase inhibitors and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-30 — — US disclosed
US-20120129852-A1 AZAINDAZOLES AS KINASE INHIBITORS AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2012-05-24 — — 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-20120129852-A1 AZAINDAZOLES AS KINASE INHIBITORS AND USE THEREOF BTK, ABL1, JAK1 GRM2 1862/4885MEN1 1697/4885KMT2A 566/4885

“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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