SCHEMBL4175579

SCHEMBL4175579

CNc1cc(-c2cncc(-c3ccc(C(=O)N4CCN(C)CC4)cc3)c2)cc(-c2cccc(C)n2)n1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
CHEK1 O14757 1/20 0.42
GRM5 P41594 1/20 0.42
RIPK1 Q13546 1/20 0.42
CCNC P24863 3/20 0.42
CDK8 P49336 3/20 0.42
CYP2C9 P11712 1/20 0.41
MKNK1 Q9BUB5 3/20 0.41
MKNK2 Q9HBH9 3/20 0.41
KCNH2 Q12809 1/20 0.40
ABL1 P00519 3/20 0.40
BCR P11274 3/20 0.40
HPGD P15428 1/20 0.40
ATR Q13535 1/20 0.40
CCNE2 O96020 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
GSK3B P49841 1/20 0.40
MAP3K11 Q16584 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
SCHEMBL3717402 0.90 BMPR1B (0.45) POLBCHEK1GRM5RIPK1CCNC
SCHEMBL2241835 0.90 POLB (0.45) POLBCHEK1GRM5RIPK1CCNC
SCHEMBL3719551 0.87 POLB (0.45) POLBCHEK1GRM5CCNCCDK8
SCHEMBL3721461 0.87 RIPK1 (0.48) POLBCHEK1RIPK1CYP2C9MKNK1
SCHEMBL4181485 0.84 CHEK1 (0.48) CHEK1
SCHEMBL2237541 0.82 HPGD (0.45) GRM5CCNCCDK8ABL1BCR
SCHEMBL3723755 0.81 L3MBTL1 (0.53) RIPK1KCNH2ABL1BCRHPGD
SCHEMBL3723325 0.80 HRH3 (0.44) GRM5CCNCCDK8ABL1BCR
SCHEMBL2238961 0.79 RIPK1 (0.48) POLBCHEK1RIPK1CYP2C9MKNK1
SCHEMBL3723739 0.78 ABL1 (0.50) RIPK1CCNCCDK8KCNH2ABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2242742-B1 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 2015-12-02 EP disclosed
US-8343966-B2 Organic compounds NOVARTIS AG (CH) 2013-01-01 US disclosed
US-20090215776-A1 Organic compounds ADCOCK CLAIRE 2009-08-27 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-20090215776-A1 Organic compounds REN, RXFP1, MYLK POLB 1807/4885CHEK1 4700/4885GRM5 4235/4885

“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.