SCHEMBL4866804

SCHEMBL4866804

Cc1c[nH]c2ncnc(N3CCC(CNc4cccc(Oc5ccc(F)cc5)c4)CC3)c12

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LIMK2 P53671 17/20 0.62
LRRK2 Q5S007 1/20 0.46
ROCK2 O75116 1/20 0.46
LIMK1 P53667 1/20 0.46
ROCK1 Q13464 1/20 0.46
AKT1 P31749 2/20 0.46
AKT1S1 Q96B36 1/20 0.46

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
SCHEMBL14065315 0.95 LIMK2 (0.60) LIMK2LRRK2ROCK2LIMK1ROCK1
SCHEMBL4866916 0.90 LIMK2 (0.50) LIMK2LRRK2AKT1
Hydrochloric Acid SCHEMBL4866858 0.89 LIMK2 (0.49) LIMK2LRRK2AKT1
SCHEMBL14065316 0.88 LRRK2 (0.49) LIMK2LRRK2ROCK2LIMK1AKT1
SCHEMBL14065312 0.85 LIMK2 (0.48) LIMK2LRRK2AKT1
SCHEMBL14065320 0.84 AKT2 (0.53)
SCHEMBL14065257 0.83 LIMK2 (0.89) LIMK2
SCHEMBL14073937 0.79 F10 (0.47) LIMK2AKT1S1
SCHEMBL14065263 0.78 LIMK2 (0.86) LIMK2
SCHEMBL14065280 0.77 LIMK2 (0.90) LIMK2

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-7423043-B2 4-Piperidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine compounds LEXICON PHARMACEUTICALS, INC. (US) 2008-09-09 US disclosed
US-7423043-B2 4-Piperidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine compounds LEXICON PHARMACEUTICALS, INC. (US) 2008-09-09 US disclosed
US-7423043-B2 4-Piperidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine compounds LEXICON PHARMACEUTICALS, INC. (US) 2008-09-09 US disclosed
US-20060189638-A1 kinase inhibitor; proliferative diseases such as cancer, cancer metastasis, inflammation, arthritis, and diseases characterized by abnormal or inappropriate angiogenesis OXFORD FINANCE LLC, AS COLLATERAL AGENT 2006-08-24 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-20060189638-A1 kinase inhibitor; proliferative diseases such as cancer, cancer metastasis, inflammation, arthritis, and diseases characterized by abnormal or inappropriate angiogenesis CDK4, CDK2, MKI67 LIMK2 457/4885LRRK2 1374/4885ROCK2 293/4885

“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.