SCHEMBL3363901

SCHEMBL3363901

Clc1cncc(NCc2ccccc2Cl)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.57
POLB P06746 1/20 0.57
CDK2 P24941 1/20 0.50
MAP4K4 O95819 1/20 0.46
TP53 P04637 1/20 0.44
DRD2 P14416 3/20 0.44
HTR2A P28223 3/20 0.44
HRH1 P35367 3/20 0.44
KCNN3 Q9UGI6 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
GPR39 O43194 1/20 0.43
PDE5A O76074 1/20 0.43
PDE2A O00408 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HTT P42858 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
SCHEMBL3143358 0.80 CDK2 (0.57) ALDH1A1CDK2DRD2HTR2AHRH1
SCHEMBL3951910 0.77 ALDH1A1 (0.61) ALDH1A1POLBMAP4K4HDAC3HDAC1
SCHEMBL29558717 0.76 ALDH1A1 (0.56) ALDH1A1POLBMAP4K4TP53HDAC3
SCHEMBL906151 0.75 HTR2C (0.59) ALDH1A1POLBHTR2AHRH1CYP3A4
Hydrochloric Acid SCHEMBL6285766 0.74 HTR2C (0.58) ALDH1A1POLBHTR2AHRH1CYP3A4
SCHEMBL1678795 0.73 LTA4H (0.53) ALDH1A1POLBCYP3A4CYP2C19HSD17B10
SCHEMBL5207658 0.73 CLK4 (0.51) ALDH1A1CDK2MAP4K4HRH4
SCHEMBL6659258 0.73 HRH1 (0.50) ALDH1A1CDK2DRD2HTR2AHRH1
SCHEMBL12990690 0.72 FYN (0.48) ALDH1A1POLB
SCHEMBL23093434 0.72 ALDH1A1 (0.49) ALDH1A1CDK2TP53KCNN3CYP3A4

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-20100331315-A1 RHODANINES AND RELATED HETEROCYCLES AS KINASE INHIBITORS SENHWA BIOSCIENCES, INC. (TW) 2010-12-30 US disclosed
US-20100331315-A1 RHODANINES AND RELATED HETEROCYCLES AS KINASE INHIBITORS SENHWA BIOSCIENCES, INC. (TW) 2010-12-30 US disclosed
US-20100331315-A1 RHODANINES AND RELATED HETEROCYCLES AS KINASE INHIBITORS SENHWA BIOSCIENCES, INC. (TW) 2010-12-30 US disclosed
WO-2010148351-A1 RHODANINES AND RELATED HETEROCYCLES AS KINASE INHIBITORS CYLENE PHARMACEUTICALS, INC. (US) 2010-12-23 WO disclosed
WO-2010148351-A1 RHODANINES AND RELATED HETEROCYCLES AS KINASE INHIBITORS CYLENE PHARMACEUTICALS, INC. (US) 2010-12-23 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 (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-20100331315-A1 RHODANINES AND RELATED HETEROCYCLES AS KINASE INHIBITORS PIM2, PIM1, CDK2 ALDH1A1 4066/4885POLB 2065/4885CDK2 3/4885

“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.