SCHEMBL4866916

SCHEMBL4866916

Fc1ccc(Oc2cccc(NCC3CCN(c4ncnc5[nH]cc(Cl)c45)CC3)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LIMK2 P53671 3/20 0.50
AKT1 P31749 3/20 0.46
F10 P00742 1/20 0.44
LRRK2 Q5S007 11/20 0.44
STK4 Q13043 3/20 0.43
STK3 Q13188 3/20 0.43
MAP3K5 Q99683 2/20 0.42
MAP3K6 O95382 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
Hydrochloric Acid SCHEMBL4866858 0.99 LIMK2 (0.49) LIMK2AKT1F10LRRK2STK4
SCHEMBL14065312 0.95 LIMK2 (0.48) LIMK2AKT1F10LRRK2STK4
SCHEMBL4866804 0.90 LIMK2 (0.62) LIMK2AKT1LRRK2
SCHEMBL14065316 0.88 LRRK2 (0.49) LIMK2AKT1F10LRRK2
SCHEMBL14065315 0.85 LIMK2 (0.60) LIMK2AKT1F10LRRK2
SCHEMBL14065320 0.84 AKT2 (0.53) F10
SCHEMBL14065313 0.83 LIMK2 (0.72) LIMK2F10
SCHEMBL14073937 0.79 F10 (0.47) LIMK2F10
SCHEMBL4290392 0.77 LIMK2 (0.62) LIMK2AKT1
SCHEMBL4727626 0.75 AKT1 (0.56) LIMK2AKT1

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 457/4885AKT1 237/4885F10 3652/4885

“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.