SCHEMBL10170689

SCHEMBL10170689

Cc1sc(Cl)nc1-c1nccc(N2CCN(C)CC2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 9/20 0.54
▸ ALDH1A1 P00352 7/20 0.54
▸ HSD17B10 Q99714 6/20 0.54
▸ CYP2D6 P10635 4/20 0.54
▸ ALOX15 P16050 2/20 0.54
▸ USP2 O75604 4/20 0.54
▸ CYP3A4 P08684 5/20 0.50
▸ CLK4 Q9HAZ1 3/20 0.50
▸ TSHR P16473 3/20 0.50
▸ CASP1 P29466 1/20 0.50
▸ CASP7 P55210 1/20 0.50
▸ HRH4 Q9H3N8 7/20 0.49
▸ HRH3 Q9Y5N1 3/20 0.49
▸ CYP2C19 P33261 4/20 0.48
▸ KDM4E B2RXH2 2/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ HTR3E A5X5Y0 2/20 0.43
▸ HTR3B O95264 2/20 0.43
▸ HTR3A P46098 2/20 0.43
▸ HTR3D Q70Z44 2/20 0.43

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
SCHEMBL10170686 0.88 ALDH1A1 (0.41) CYP1A2ALDH1A1HSD17B10CYP2D6ALOX15
SCHEMBL10170687 0.87 CYP1A2 (0.54) CYP1A2ALDH1A1HSD17B10CYP2D6ALOX15
SCHEMBL10170691 0.86 CYP1A2 (0.40) CYP1A2ALDH1A1HSD17B10CYP2D6ALOX15
SCHEMBL10170681 0.85 HRH4 (0.56) CYP1A2ALDH1A1HSD17B10CYP2D6ALOX15
SCHEMBL10170690 0.83 CYP1A2 (0.38) CYP1A2ALDH1A1HSD17B10CYP2D6ALOX15
SCHEMBL509504 0.80 ALDH1A1 (0.47) CYP1A2ALDH1A1HSD17B10CYP2D6ALOX15
SCHEMBL10170680 0.73 CYP1A2 (0.53) CYP1A2ALDH1A1HSD17B10CYP2D6ALOX15
SCHEMBL10170679 0.73 CXCR4 (0.42) CYP1A2ALDH1A1HSD17B10CYP2D6ALOX15
SCHEMBL29997962 0.73 HRH4 (0.65) CYP1A2ALDH1A1HSD17B10CYP2D6ALOX15
SCHEMBL2190955 0.73 HRH4 (0.65) CYP1A2ALDH1A1HSD17B10CYP2D6ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120028979-A1 2-(PIPERIDIN-1-YL)-4-HETEROCYCLYL-THIAZOLE-5-CARBOXYLIC ACID DERIVATIVES AGAINST BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2012-02-02 — — 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-20120028979-A1 2-(PIPERIDIN-1-YL)-4-HETEROCYCLYL-THIAZOLE-5-CARBOXYLIC ACID DERIVATIVES AGAINST BACTERIAL INFECTIONS TLR5, TLR2, PIR CYP1A2 252/4885ALDH1A1 119/4885HSD17B10 2750/4885

“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.

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