SCHEMBL17276605

SCHEMBL17276605

COc1cccc(CN2CCN(C(=O)n3cc(C(F)(F)F)cn3)CC2)c1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 4/20 0.54
▸ KDM4E B2RXH2 2/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ MEN1 O00255 4/20 0.53
▸ KMT2A Q03164 4/20 0.53
▸ LMNA P02545 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ RECQL P46063 1/20 0.52
▸ MGLL Q99685 1/20 0.52
▸ SIGMAR1 Q99720 1/20 0.51

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
SCHEMBL21257997 0.87 FAAH (0.49) FAAHMGLL
SCHEMBL17276675 0.87 FAAH (0.58) FAAHKDM4EALDH1A1LMNA
SCHEMBL17276360 0.87 ALDH1A1 (0.54) FAAHKDM4EALDH1A1
SCHEMBL17276567 0.85 KDM4E (0.52) FAAHKDM4EALDH1A1
SCHEMBL19078730 0.85 FAAH (0.49) FAAH
SCHEMBL21276318 0.85 CYP3A4 (0.51) —
SCHEMBL17276718 0.85 FAAH (0.53) FAAHMGLL
SCHEMBL17276583 0.84 SIGMAR1 (0.59) FAAHALDH1A1KMT2ALMNASIGMAR1
SCHEMBL17276749 0.83 LMNA (0.53) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL17276630 0.82 KDM4E (0.49) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10093630-B2 Pyrazole compounds and methods of making and using same ABIDE THERAPEUTICS, INC. (US) 2018-10-09 — — US disclosed
US-20170190669-A1 PYRAZOLE COMPOUNDS AND METHODS OF MAKING AND USING SAME H. LUNDBECK A/S (DK) 2017-07-06 — — US disclosed
US-20170190669-A1 PYRAZOLE COMPOUNDS AND METHODS OF MAKING AND USING SAME H. LUNDBECK A/S (DK) 2017-07-06 — — US disclosed
WO-2015179559-A2 PYRAZOLE COMPOUNDS AND METHODS OF MAKING AND USING SAME ABIDE THERAPEUTICS, INC. (US) 2015-11-26 — — WO disclosed
WO-2015179559-A2 PYRAZOLE COMPOUNDS AND METHODS OF MAKING AND USING SAME ABIDE THERAPEUTICS, INC. (US) 2015-11-26 — — 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 (2 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-20170190669-A1 PYRAZOLE COMPOUNDS AND METHODS OF MAKING AND USING SAME ABHD6, FAAH, FAAH2 FAAH 2/4885KDM4E 2168/4885ALDH1A1 1322/4885
US-10093630-B2 Pyrazole compounds and methods of making and using same ABHD6, FAAH, FAAH2 FAAH 2/4885KDM4E 2168/4885ALDH1A1 1322/4885

“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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