SCHEMBL10170680

SCHEMBL10170680

Cc1sc(N)nc1-c1nccc(N2CCOCC2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 4/20 0.53
▸ ALOX15 P16050 3/20 0.53
▸ ALDH1A1 P00352 3/20 0.53
▸ HSD17B10 Q99714 3/20 0.53
▸ CLK4 Q9HAZ1 2/20 0.53
▸ USP2 O75604 2/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ PIK3CA P42336 4/20 0.47
▸ PIK3CD O00329 2/20 0.47
▸ PIM1 P11309 2/20 0.46
▸ PIM3 Q86V86 2/20 0.46
▸ PIM2 Q9P1W9 2/20 0.46
▸ AR P10275 1/20 0.42
▸ CDC7 O00311 1/20 0.42
▸ PLK4 O00444 1/20 0.42
▸ CIT O14578 1/20 0.42
▸ CHEK1 O14757 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
SCHEMBL10170679 0.87 CXCR4 (0.42) CYP1A2ALOX15ALDH1A1HSD17B10CLK4
SCHEMBL10170681 0.86 HRH4 (0.56) CYP1A2ALOX15ALDH1A1HSD17B10CLK4
SCHEMBL10170687 0.86 CYP1A2 (0.54) CYP1A2ALOX15ALDH1A1HSD17B10CLK4
SCHEMBL10170683 0.83 HRH3 (0.40) CYP1A2ALOX15ALDH1A1HSD17B10CLK4
SCHEMBL510233 0.81 PIK3CA (0.47) CYP1A2ALOX15ALDH1A1HSD17B10CLK4
SCHEMBL10170684 0.80 HRH4 (0.38) CYP1A2ALOX15ALDH1A1HSD17B10CLK4
SCHEMBL10170686 0.74 ALDH1A1 (0.41) CYP1A2ALOX15ALDH1A1HSD17B10CLK4
SCHEMBL10170689 0.73 CYP1A2 (0.54) CYP1A2ALOX15ALDH1A1HSD17B10CLK4
SCHEMBL3727348 0.73 PIK3CA (0.60) CYP1A2ALOX15ALDH1A1HSD17B10CLK4
SCHEMBL244876 0.72 HRH3 (0.65) CYP1A2ALOX15ALDH1A1HSD17B10CLK4

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 252/4885ALOX15 1504/4885ALDH1A1 119/4885

“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.

Send feedback