SCHEMBL15518457

SCHEMBL15518457

COc1cc2c(cc1-c1[nH]c3c(C#N)cnn3c1NC1CCCC1)CCC2

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.43
▸ LPAR1 Q92633 1/20 0.40
▸ CSNK2A1 P68400 2/20 0.39
▸ PLAT P00750 2/20 0.35
▸ NSD2 O96028 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ TSHR P16473 2/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ PRKCQ Q04759 1/20 0.34
▸ TTK P33981 1/20 0.34
▸ JAK2 O60674 1/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ EHMT2 Q96KQ7 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
SCHEMBL15519153 0.90 MAPT (0.46) MAPTLPAR1CSNK2A1PLATNSD2
SCHEMBL15518353 0.86 MAPT (0.49) MAPTLPAR1CSNK2A1NSD2MEN1
SCHEMBL15518354 0.85 MAPT (0.58) MAPTLPAR1CSNK2A1KDM4EALDH1A1
SCHEMBL15518351 0.84 MAPT (0.57) MAPTLPAR1CSNK2A1KDM4EALDH1A1
SCHEMBL15518388 0.84 MAPT (0.47) MAPTCSNK2A1MEN1NPC1RAB9A
SCHEMBL15518062 0.82 MAPT (0.44) MAPTCSNK2A1PLATNSD2KDM4E
SCHEMBL15518108 0.79 MAPT (0.49) MAPTLPAR1CSNK2A1KDM4EALDH1A1
SCHEMBL15518754 0.72 MAPT (0.52) MAPTLPAR1CSNK2A1PLATALDH1A1
SCHEMBL15518216 0.71 MAPT (0.38) MAPTLPAR1CSNK2A1PLATKDM4E
SCHEMBL15517867 0.70 MAPT (0.43) MAPTLPAR1CSNK2A1KDM4EALDH1A1

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-9169215-B2 LPAR—substituted cyanopyrazole compounds HOFFMANN-LA ROCHE INC. (US) 2015-10-27 — — US disclosed
US-20150218106-A1 LPAR - SUBSTITUTED CYANOPYRAZOLE COMPOUNDS HOFFMANN-LA ROCHE INC. 2015-08-06 — — US disclosed
EP-2892882-A1 LPAR - SUBSTITUTED CYANOPYRAZOLE COMPOUNDS F. Hoffmann-La Roche AG (CH) 2015-07-15 — — EP disclosed
WO-2014037303-A1 LPAR - SUBSTITUTED CYANOPYRAZOLE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2014-03-13 — — 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-20150218106-A1 LPAR - SUBSTITUTED CYANOPYRAZOLE COMPOUNDS LPAR3, LPAR1, LPAR2 MAPT 4773/4885LPAR1 2/4885CSNK2A1 884/4885

“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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