SCHEMBL2267852

SCHEMBL2267852

Cc1ccc(C(F)(F)F)cc1I

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTOR P42345 1/20 0.48
PDE2A O00408 3/20 0.41
KIF11 P52732 4/20 0.40
NOTUM Q6P988 1/20 0.39
TAS2R14 Q9NYV8 1/20 0.38
PTPN5 P54829 1/20 0.38
RAPGEF4 Q8WZA2 1/20 0.37
MAPT P10636 1/20 0.37
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
CES2 O00748 2/20 0.35
NFE2L2 Q16236 1/20 0.35

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
SCHEMBL31537454 0.84 PDE2A (0.42) MTORPDE2AKIF11NOTUMPTPN5
SCHEMBL1529230 0.84 PDE2A (0.42) MTORPDE2AKIF11NOTUMPTPN5
SCHEMBL10455048 0.83 ESR1 (0.40) MTOR
SCHEMBL1755260 0.80 PDE2A (0.46) PDE2AKIF11NOTUMTAS2R14PTPN5
SCHEMBL20078800 0.79 ESR1 (0.52) MTORTSHR
SCHEMBL12203436 0.79 TSHR (0.44) MTORKIF11MAPTGAATSHR
SCHEMBL7863217 0.78 PTPN5 (0.41) KIF11NOTUMPTPN5TSHRMAPK1
SCHEMBL27061386 0.76 ESR1 (0.39) MTORPDE2ATSHR
Water SCHEMBL27703440 0.76 PDE2A (0.43) PDE2AKIF11NOTUMTAS2R14PTPN5
SCHEMBL1859691 0.74 PDE2A (0.50) PDE2AKIF11NOTUMTAS2R14PTPN5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021216951-A1 CONDENSED SUBSTITUTED HYDROPYRROLES AS ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY (US) 2021-10-28 WO disclosed
WO-2020038458-A1 CLASS OF FUSED RING TRIAZOLE COMPOUND, PREPARATION METHOD, AND USE 如东凌达生物医药科技有限公司 2020-02-27 WO disclosed
WO-2019063015-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUND WHICH ACTS AS RORγ INHIBITOR 正大天晴药业集团股份有限公司 2019-04-04 WO disclosed
EP-1714961-B1 INDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2015-12-09 EP disclosed
US-7994196-B2 Indazole compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-08-09 US disclosed
US-20070173537-A1 Indazole compound and pharmaceutical use thereof MITSUBISHI PHARMA CORPORATION (JP) 2007-07-26 US disclosed
EP-1714961-A1 INDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2006-10-25 EP 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-20070173537-A1 Indazole compound and pharmaceutical use thereof CYP3A5, CYP3A43, TP53 MTOR 2264/4885PDE2A 2888/4885KIF11 399/4885

“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.