SCHEMBL4817062

SCHEMBL4817062

Clc1ncnn2cc(-c3ccnc(N4CCOCC4)c3)cc12

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.49
SMG1 Q96Q15 3/20 0.44
LRRK2 Q5S007 10/20 0.44
CDK1 P06493 1/20 0.42
CDK2 P24941 1/20 0.42
PIK3CA P42336 1/20 0.41
PIK3CD O00329 1/20 0.41
CNR2 P34972 1/20 0.40
NMT1 P30419 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
SCHEMBL4810921 0.86 MAP4K4 (0.49) MAP4K4SMG1LRRK2PIK3CAPIK3CD
SCHEMBL4820645 0.75 MAP4K4 (0.42) MAP4K4LRRK2PIK3CD
SCHEMBL4811162 0.72 MITF (0.39) MAP4K4LRRK2
SCHEMBL17850466 0.70 LRRK2 (0.55) SMG1LRRK2CDK1CDK2PIK3CA
SCHEMBL13958039 0.69 PIK3CA (0.58) SMG1LRRK2CDK1CDK2PIK3CA
SCHEMBL20004324 0.67 LRRK2 (0.53) SMG1LRRK2CDK1CDK2PIK3CA
SCHEMBL15317749 0.66 ABL1 (0.51) SMG1LRRK2CDK1CDK2PIK3CA
SCHEMBL24269764 0.65 SMG1 (0.43) SMG1LRRK2CDK1CDK2PIK3CA
SCHEMBL19998635 0.65 LRRK2 (0.48) SMG1LRRK2CDK1CDK2PIK3CA
SCHEMBL15885522 0.65 LRRK2 (0.54) LRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7439246-B2 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-10-21 US disclosed
US-7439246-B2 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-10-21 US disclosed
US-7439246-B2 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-10-21 US disclosed
US-7173031-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 US disclosed
US-7173031-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 US disclosed
US-7173031-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 US disclosed
US-20060211695-A1 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2006-09-21 US disclosed
US-20060004006-A1 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2006-01-05 US disclosed
US-20050288290-A1 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-12-29 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 (3 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-20050288290-A1 Fused heterocyclic kinase inhibitors MAP3K20, MAP3K19, ABL1 MAP4K4 24/4885SMG1 654/4885LRRK2 545/4885
US-20060004006-A1 Pyrrolotriazine kinase inhibitors MAP3K5, MAP3K15, MAP4K2 MAP4K4 28/4885SMG1 761/4885LRRK2 565/4885
US-20060211695-A1 Fused heterocyclic kinase inhibitors MAP3K20, MAP3K19, ABL1 MAP4K4 24/4885SMG1 654/4885LRRK2 545/4885

“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.