SCHEMBL12110223

SCHEMBL12110223

CC(C)c1cc(C(F)(F)F)cc2[nH]ccc12

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.49
▸ ASH1L Q9NR48 1/20 0.43
▸ KIF11 P52732 5/20 0.41
▸ ALDH1A1 P00352 2/20 0.34
▸ TRPV1 Q8NER1 2/20 0.33
▸ AR P10275 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ S1PR1 P21453 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ PDE2A O00408 1/20 0.33

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 SCHEMBL29755247 0.86 HSD17B10 (0.45) HSD17B10ASH1LKIF11ALDH1A1TRPV1
SCHEMBL7919207 0.79 HSD17B10 (0.54) HSD17B10ASH1LKIF11ALDH1A1MEN1
SCHEMBL12110222 0.77 AHR (0.41) HSD17B10ALDH1A1ARMEN1KMT2A
SCHEMBL18853886 0.77 ALDH1A1 (0.49) HSD17B10KIF11ALDH1A1MEN1CYP1A2
SCHEMBL23148126 0.75 HSD17B10 (0.54) HSD17B10ASH1LKIF11ALDH1A1AR
SCHEMBL22607356 0.75 LMNA (0.34) HSD17B10ALDH1A1HPGDKMT2AHTR2A
SCHEMBL16076731 0.75 GABRA1 (0.38) KIF11ALDH1A1
SCHEMBL2426077 0.74 HSD17B10 (0.53) HSD17B10ASH1LKIF11ALDH1A1MEN1
SCHEMBL20028265 0.74 RHEB (0.46) ALDH1A1HTR2A
SCHEMBL994433 0.74 HSD17B10 (0.53) HSD17B10ASH1LKIF11ALDH1A1MEN1

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-8921361-B2 Triazine, pyrimidine and pyridine analogs and their use as therapeutic agents and diagnostic probes UNIVERSITY OF BASEL (CH) 2014-12-30 — — US disclosed
CN-104039956-A Method of treatment GLAXOSMITHKLINE IP NO 2 LTD 2014-09-10 — — CN disclosed
CN-102970869-B Indoles GLAXOSMITHKLINE LLC 2014-07-16 — — CN disclosed
US-20110275762-A1 TRIAZINE, PYRIMIDINE AND PYRIDINE ANALOGS AND THEIR USE AS THERAPEUTIC AGENTS AND DIAGNOSTIC PROBES UNIVERSITY OF BASEL (CH) 2011-11-10 — — 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-20110275762-A1 TRIAZINE, PYRIMIDINE AND PYRIDINE ANALOGS AND THEIR USE AS THERAPEUTIC AGENTS AND DIAGNOSTIC PROBES MTOR, PIK3CA, PIK3CD HSD17B10 1661/4885ASH1L 4672/4885KIF11 4060/4885

“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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