SCHEMBL8401200

SCHEMBL8401200

Cc1ccc(-c2cc(C3CCCC3)c(C#N)c(Cl)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.49
KMT2A Q03164 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
KDM4E B2RXH2 5/20 0.42
HPGD P15428 5/20 0.42
PPARG P37231 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
NCOA2 Q15596 1/20 0.42
NCOA1 Q15788 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
KDM1A O60341 1/20 0.39
ALDH1A1 P00352 5/20 0.38
MAPT P10636 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
GAA P10253 2/20 0.38

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
SCHEMBL8401218 0.87 L3MBTL1 (0.43) L3MBTL1KMT2AKDM4EADORA2AADORA1
SCHEMBL8534958 0.86 KDM4E (0.51) L3MBTL1KMT2AKDM4EHPGDNPSR1
SCHEMBL8401178 0.83 L3MBTL1 (0.48) L3MBTL1KMT2ACYP1A2CYP2C19KDM4E
SCHEMBL18780292 0.72 IKBKB (0.34) L3MBTL1KDM4EHPGDALDH1A1GAA
SCHEMBL22411264 0.71 ADK (0.46) L3MBTL1KMT2ACYP2C19KDM4EHPGD
SCHEMBL30873839 0.71 ADK (0.46) L3MBTL1KMT2ACYP2C19KDM4EHPGD
SCHEMBL14385641 0.71 KDM4E (0.39) L3MBTL1KMT2AKDM4EHPGDPPARG
SCHEMBL26296916 0.70 DHODH (0.39) L3MBTL1KMT2AKDM4EHPGDKDM1A
SCHEMBL8534916 0.70 HPGD (0.43) L3MBTL1KMT2ACYP1A2CYP2C19KDM4E
SCHEMBL1623755 0.70 NSD2 (0.39) L3MBTL1KMT2AKDM4EHPGDNPSR1

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 L3MBTL1 1741/4885KMT2A 566/4885CYP1A2 1050/4885

“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.