SCHEMBL17276522

SCHEMBL17276522

O=C(c1cnn(C(=O)N2CCN(Cc3ccncn3)CC2)c1)N1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ LSS P48449 1/20 0.40
▸ GRIN2B Q13224 1/20 0.39

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
SCHEMBL17276462 0.99 ALDH1A1 (0.45) HRH3ALDH1A1KDM4EMAPTTSHR
SCHEMBL17276280 0.97 KDM4E (0.45) HRH3ALDH1A1KDM4EMAPTTSHR
SCHEMBL17276719 0.91 HRH3 (0.47) HRH3ALDH1A1KDM4EMAPTTSHR
SCHEMBL17281589 0.90 HRH3 (0.43) HRH3ALDH1A1KDM4EMAPTTSHR
SCHEMBL17276358 0.87 ALDH1A1 (0.61) HRH3ALDH1A1KDM4EMAPTTSHR
SCHEMBL17276591 0.85 ALDH1A1 (0.62) ALDH1A1KDM4EMAPTTSHRMAPK1
SCHEMBL17276744 0.85 LSS (0.53) ALDH1A1KDM4ELSS
SCHEMBL17276378 0.84 LSS (0.54) ALDH1A1KDM4ELSS
SCHEMBL17276478 0.83 ALDH1A1 (0.62) ALDH1A1KDM4EMAPTTSHRMAPK1
SCHEMBL17276477 0.82 LSS (0.54) ALDH1A1KDM4ELSS

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 HRH3 360/4885ALDH1A1 1322/4885KDM4E 2168/4885
US-10093630-B2 Pyrazole compounds and methods of making and using same ABHD6, FAAH, FAAH2 HRH3 360/4885ALDH1A1 1322/4885KDM4E 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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