SCHEMBL463036

SCHEMBL463036

Cc1c(-c2cccc(Cl)c2)n[nH]c1N

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IKBKE Q14164 1/20 0.55
JAK2 O60674 1/20 0.48
HTR7 P34969 1/20 0.47
ATM Q13315 1/20 0.46
ADORA2A P29274 2/20 0.44
ADORA1 P30542 2/20 0.44
ADORA2B P29275 1/20 0.44
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
NOTUM Q6P988 2/20 0.42
IDO1 P14902 4/20 0.42
NPY5R Q15761 1/20 0.42

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
SCHEMBL3501378 0.81 IKBKE (0.48) IKBKEJAK2HTR7ATMADORA2A
SCHEMBL1143552 0.80 IKBKB (0.50) HTR7ADORA2AADORA1
SCHEMBL29875138 0.79 ADORA2A (0.50) IKBKEJAK2HTR7ATMADORA2A
SCHEMBL19927651 0.79 ADORA2A (0.50) IKBKEJAK2HTR7ATMADORA2A
SCHEMBL4005629 0.79 ALDH1A1 (0.53) ATMALDH1A1IDO1
SCHEMBL12398398 0.76 IKBKE (0.54) IKBKEJAK2HTR7ADORA2AADORA1
SCHEMBL29874866 0.76 IKBKE (0.54) IKBKEJAK2HTR7ADORA2AADORA1
SCHEMBL930181 0.72 IKBKE (0.56) IKBKEJAK2ALDH1A1POLBAPOBEC3G
SCHEMBL14809717 0.72 MAP2K4 (0.55) IKBKEJAK2ALDH1A1IDO1NPY5R
SCHEMBL15038415 0.72 ADORA2A (0.53) IKBKEJAK2ADORA2AADORA1ADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8633200-B2 Inhibitors of human immunodeficiency virus replication BRISTOL-MYERS SQUIBB COMPANY (US) 2014-01-21 US disclosed
EP-2614064-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION Bristol-Myers Squibb Company (US) 2013-07-17 EP disclosed
US-20120225888-A1 Inhibitors of Human Immunodeficiency Virus Replication BRISTOL-MYERS SQUIBB COMPANY 2012-09-06 US disclosed
WO-2012033735-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-15 WO 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-20120225888-A1 Inhibitors of Human Immunodeficiency Virus Replication EIF2AK2, RTF2, MAVS IKBKE 437/4885JAK2 2822/4885HTR7 3371/4885

“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.