SCHEMBL17276744

SCHEMBL17276744

O=C(c1cnn(C(=O)N2CCN(Cc3ccncc3)CC2)c1)N1CCCCC1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ LSS P48449 2/20 0.53
▸ KDM4E B2RXH2 4/20 0.51
▸ ALDH1A1 P00352 3/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ HIF1A Q16665 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ POLB P06746 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
SCHEMBL17276378 0.99 LSS (0.54) LSSKDM4EALDH1A1MEN1CYP3A4
SCHEMBL17276477 0.97 LSS (0.54) LSSKDM4EALDH1A1MEN1CYP3A4
SCHEMBL17276341 0.89 LSS (0.51) LSSKDM4EALDH1A1MEN1CYP3A4
SCHEMBL17276557 0.88 KDM4E (0.53) KDM4EALDH1A1
SCHEMBL17276755 0.88 VNN1 (0.47) —
SCHEMBL17276652 0.87 KDM4E (0.53) KDM4EALDH1A1
SCHEMBL17276861 0.86 VNN1 (0.46) —
SCHEMBL17276522 0.85 HRH3 (0.44) LSSKDM4EALDH1A1
SCHEMBL17276612 0.85 KDM4E (0.53) KDM4EALDH1A1
SCHEMBL17276277 0.84 CHKA (0.44) —

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 LSS 2300/4885KDM4E 2168/4885ALDH1A1 1322/4885
US-10093630-B2 Pyrazole compounds and methods of making and using same ABHD6, FAAH, FAAH2 LSS 2300/4885KDM4E 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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