SCHEMBL14037264

SCHEMBL14037264

Cn1cnc(C(C)(C)O)c1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.36
CYP2C9 P11712 2/20 0.36
TSHR P16473 1/20 0.36
MTOR P42345 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
AR P10275 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2E1 P05181 1/20 0.32
CYP2A6 P11509 1/20 0.32
CYP2B6 P20813 1/20 0.32

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
SCHEMBL443058 0.81 CYP2C9 (0.39) CYP2C19CYP2C9TSHRMTORHRH4
SCHEMBL12714418 0.78 CYP2C9 (0.32) CYP2C19CYP2C9TSHRMTORHRH4
SCHEMBL18871348 0.77 CYP2C9 (0.36) CYP2C19CYP2C9TSHRMTORHRH4
SCHEMBL10249790 0.77 CYP2C9 (0.34) CYP2C19CYP2C9TSHRMTORHRH4
SCHEMBL12928753 0.75 CYP2C9 (0.36) CYP2C19CYP2C9TSHRMTORHRH4
SCHEMBL1045230 0.75 CYP2C9 (0.36) CYP2C19CYP2C9TSHRMTORHRH4
SCHEMBL2611129 0.74 TSHR (0.39) CYP2C19CYP2C9TSHRMTORHRH4
SCHEMBL25015250 0.74 CYP2C9 (0.38) CYP2C19CYP2C9TSHRMTORHRH4
SCHEMBL13944416 0.74 CYP2C9 (0.38) CYP2C19CYP2C9TSHRMTORHRH4
SCHEMBL24311782 0.74 CYP2C9 (0.34) CYP2C19CYP2C9TSHRMTORHRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3889154-A1 HETEROCYCLIC COMPOUND INTERMEDIATE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Wuhan LL Science And Technology Development Co., Ltd. (CN) 2021-10-06 EP disclosed
WO-2020135771-A1 HETEROCYCLIC COMPOUND INTERMEDIATE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 武汉朗来科技发展有限公司 2020-07-02 WO disclosed
WO-2016177686-A1 PYRIDAZINE DERIVATIVES AS RORc MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2016-11-10 WO disclosed
US-9487504-B2 Imidazolyl analogs as syk inhibitors MERCK SHARP & DOHME CORP. (US) 2016-11-08 US disclosed
US-20150175575-A1 IMIDAZOLYL ANALOGS AS SYK INHIBITORS MERCK SHARP & DOHME LLC 2015-06-25 US disclosed
WO-2008137609-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. (US) 2008-11-13 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-20150175575-A1 IMIDAZOLYL ANALOGS AS SYK INHIBITORS SYK, BTK, LCK CYP2C19 841/4885CYP2C9 1394/4885TSHR 2137/4885

“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.