SCHEMBL17276428

SCHEMBL17276428

O=C(N1CCN(Cc2nccs2)CC1)n1cc(-c2ccccc2)cn1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ TSHR P16473 1/20 0.44
▸ USP2 O75604 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43

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
SCHEMBL19078748 0.82 TSHR (0.50) CYP3A4TSHRUSP2CYP2D6
SCHEMBL17276415 0.81 ALDH1A1 (0.63) TSHR
SCHEMBL17276452 0.80 KDM4E (0.54) TSHR
SCHEMBL17276523 0.79 CYP2D6 (0.51) CYP3A4SMN1; SMN2TSHRUSP2CYP2D6
SCHEMBL17276315 0.79 CYP2D6 (0.51) CYP3A4SMN1; SMN2TSHRUSP2CYP2D6
SCHEMBL17276665 0.79 KDM4E (0.48) TSHR
SCHEMBL17276476 0.78 KDM4E (0.58) —
SCHEMBL17276506 0.78 CYP2D6 (0.50) CYP3A4SMN1; SMN2TSHRUSP2CYP2D6
SCHEMBL17276813 0.78 FAAH (0.47) —
SCHEMBL17276497 0.76 CYP2D6 (0.48) CYP3A4SMN1; SMN2TSHRUSP2CYP2D6

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
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
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 CYP3A4 976/4885SMN1; SMN2 3930/4885TSHR 4282/4885
US-10093630-B2 Pyrazole compounds and methods of making and using same ABHD6, FAAH, FAAH2 CYP3A4 976/4885SMN1; SMN2 3930/4885TSHR 4282/4885

“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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