SCHEMBL19078802

SCHEMBL19078802

Cc1cnn(C(=O)N2CCN(Cc3ccccc3F)CC2)c1

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.58
▸ ALDH1A1 P00352 3/20 0.58
▸ POLB P06746 1/20 0.58
▸ MEN1 O00255 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ LMNA P02545 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ PHGDH O43175 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
SCHEMBL19078799 0.88 FABP6 (0.55) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL19078779 0.86 ALDH1A1 (0.58) ALDH1A1MEN1KMT2A
SCHEMBL19078803 0.85 ALDH1A1 (0.57) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL17276604 0.85 KDM4E (0.52) KDM4EALDH1A1POLBMEN1KMT2A
SCHEMBL19078800 0.84 ALDH1A1 (0.57) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL19078804 0.83 TRPV1 (0.55) —
SCHEMBL17276459 0.83 LMNA (0.54) LMNA
SCHEMBL20556868 0.83 — —
SCHEMBL19078808 0.81 GRIN2B (0.49) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL19078805 0.81 AKR1C3 (0.46) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170190669-A1 PYRAZOLE COMPOUNDS AND METHODS OF MAKING AND USING SAME H. LUNDBECK A/S (DK) 2017-07-06 — — US 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 (1 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 KDM4E 2168/4885ALDH1A1 1322/4885POLB 4451/4885

“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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