SCHEMBL4086517

SCHEMBL4086517

Clc1ccc2[nH]c3ncnc(N4CCNCC4)c3c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K7 O14733 4/20 0.57
HPGD P15428 2/20 0.52
HTT P42858 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
LMNA P02545 2/20 0.52
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
MAPT P10636 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
HRH4 Q9H3N8 3/20 0.49
HTR2C P28335 3/20 0.49
CHEK1 O14757 1/20 0.44
CHEK2 O96017 1/20 0.44
LRRK2 Q5S007 2/20 0.43
ADRB2 P07550 1/20 0.43
NCF1 P14598 1/20 0.43
GAA P10253 1/20 0.43
AKT1 P31749 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 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
SCHEMBL4086883 0.82 MAP2K7 (0.52) MAP2K7HPGDHTTSMN1; SMN2LMNA
SCHEMBL2405247 0.81 CHEK1 (0.58) MAP2K7HPGDHTTSMN1; SMN2LMNA
SCHEMBL4086882 0.81 HPGD (0.52) MAP2K7HPGDHTTSMN1; SMN2LMNA
SCHEMBL4094488 0.77 HTR2C (0.41) MAP2K7HTTLMNAHRH4HTR2C
SCHEMBL25258783 0.77 ADRB1 (0.46) MAP2K7HTTHTR2CCYP1A2CYP3A4
SCHEMBL2923518 0.77 HTT (0.70) HPGDHTTLMNAKDM4EALDH1A1
SCHEMBL5123678 0.76 LRRK2 (0.44) MAP2K7NPSR1HTR2CLRRK2AKT1
SCHEMBL2392382 0.76 MAP2K7 (0.58) MAP2K7HPGDHTTSMN1; SMN2LMNA
SCHEMBL13962111 0.76 PDGFRB (0.53) MAP2K7
SCHEMBL13938416 0.76 PDGFRB (0.53) MAP2K7

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-20090029982-A1 PROTEIN KINASE INHIBITORS SUPERGEN, INC. (US) 2009-01-29 US disclosed
US-20080207632-A1 PROTEIN KINASE INHIBITORS SUPERGEN, INC. (US) 2008-08-28 US disclosed
WO-2008055233-A1 PROTEIN KINASE INHIBITORS SUPERGEN, INC. (US) 2008-05-08 WO disclosed
EP-1888588-A2 PROTEIN KINASE INHIBITORS SuperGen, Inc. (US) 2008-02-20 EP disclosed
WO-2006116733-A2 PROTEIN KINASE INHIBITORS SUPERGEN, INC. (US) 2006-11-02 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-20080207632-A1 PROTEIN KINASE INHIBITORS ERBB3, ERBB2, AXL MAP2K7 175/4885HPGD 4263/4885HTT 4363/4885
US-20090029982-A1 PROTEIN KINASE INHIBITORS CDK2, PACSIN2, AKT1 MAP2K7 112/4885HPGD 2141/4885HTT 4284/4885

“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.