SCHEMBL17276341

SCHEMBL17276341

O=C(c1cnn(C(=O)N2CCN(Cc3ccncc3)CC2)c1)N1CCOCC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LSS P48449 2/20 0.51
▸ AKR1C3 P42330 1/20 0.51
▸ KDM4E B2RXH2 2/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ HIF1A Q16665 1/20 0.49
▸ HRH3 Q9Y5N1 3/20 0.48
▸ HPGD P15428 1/20 0.47

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 0.90 LSS (0.54) LSSKDM4ESMN1; SMN2ALDH1A1POLB
SCHEMBL17276477 0.90 LSS (0.54) LSSKDM4ESMN1; SMN2ALDH1A1POLB
SCHEMBL17276744 0.89 LSS (0.53) LSSKDM4ESMN1; SMN2ALDH1A1POLB
SCHEMBL17276633 0.89 KDM4E (0.53) KDM4EALDH1A1POLB
SCHEMBL17276676 0.88 AKR1C3 (0.46) AKR1C3HRH3HPGD
SCHEMBL17276719 0.87 HRH3 (0.47) LSSAKR1C3KDM4ESMN1; SMN2ALDH1A1
SCHEMBL19065756 0.84 CYP3A4 (0.50) LSSAKR1C3KDM4ESMN1; SMN2ALDH1A1
SCHEMBL17276509 0.82 ALDH1A1 (0.59) KDM4EALDH1A1MEN1KMT2AHRH3
SCHEMBL17281600 0.82 KDM4E (0.60) KDM4ESMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL17276497 0.81 CYP2D6 (0.48) SMN1; SMN2ALDH1A1MEN1CYP3A4CYP2D6

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 2300/4885AKR1C3 1992/4885KDM4E 2168/4885
US-10093630-B2 Pyrazole compounds and methods of making and using same ABHD6, FAAH, FAAH2 LSS 2300/4885AKR1C3 1992/4885KDM4E 2168/4885

“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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