SCHEMBL3501378

SCHEMBL3501378

Nc1[nH]nc(-c2cccc(Cl)c2)c1Br

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IKBKE Q14164 1/20 0.48
JAK2 O60674 1/20 0.48
HTR7 P34969 1/20 0.47
IDO1 P14902 4/20 0.45
ADORA2A P29274 4/20 0.44
ADORA1 P30542 4/20 0.44
ADORA2B P29275 2/20 0.44
ATM Q13315 1/20 0.43
NOTUM Q6P988 2/20 0.42
DPP4 P27487 1/20 0.40

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
SCHEMBL8889962 0.82 HTR7 (0.48) IKBKEJAK2HTR7IDO1ATM
SCHEMBL463036 0.81 IKBKE (0.55) IKBKEJAK2HTR7IDO1ADORA2A
SCHEMBL3140079 0.80 ALPL (0.44) HTR7
SCHEMBL19927651 0.79 ADORA2A (0.50) IKBKEJAK2HTR7IDO1ADORA2A
SCHEMBL8888462 0.79 IDO1 (0.55) HTR7IDO1ADORA2AADORA1ATM
SCHEMBL29875138 0.79 ADORA2A (0.50) IKBKEJAK2HTR7IDO1ADORA2A
SCHEMBL4057416 0.79 ALDH1A1 (0.53) IDO1ATM
SCHEMBL29874866 0.76 IKBKE (0.54) IKBKEJAK2HTR7IDO1ADORA2A
SCHEMBL12398398 0.76 IKBKE (0.54) IKBKEJAK2HTR7IDO1ADORA2A
SCHEMBL25181131 0.76 GPR35 (0.44) HTR7IDO1ATMNOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100179190-A1 BICYCLIC PYRAZOLO PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2010-07-15 US disclosed
US-7473783-B2 Bicyclic pyrazolo protein kinase modulators SGX PHARMACEUTICALS, INC. (US) 2009-01-06 US disclosed
EP-1713814-A1 BICYCLIC PYRAZOLO-FUSED COMPOUNDS AS PROTEIN KINASE MODULATORS SGX Pharmaceuticals, Inc. (US) 2006-10-25 EP disclosed
US-20050176786-A1 Bicyclic pyrazolo protein kinase modulators STRUCTURAL GENOMIX (US) 2005-08-11 US disclosed
WO-2005068473-A1 BICYCLIC PYRAZOLO-FUSED COMPOUNDS AS PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2005-07-28 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 (2 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-20100179190-A1 BICYCLIC PYRAZOLO PROTEIN KINASE MODULATORS MAP3K20, MAP4K2, MAP4K3 IKBKE 393/4885JAK2 408/4885HTR7 2995/4885
US-20050176786-A1 Bicyclic pyrazolo protein kinase modulators MAP3K20, MAP4K2, MAP4K3 IKBKE 393/4885JAK2 408/4885HTR7 2995/4885

“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.