SCHEMBL19078749

SCHEMBL19078749

Cc1cnn(C(=O)N2CCN(Cc3ccccn3)CC2)c1

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.57
▸ ALDH1A1 P00352 6/20 0.57
▸ MAPT P10636 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.50
▸ POLB P06746 1/20 0.50

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
SCHEMBL19078750 0.85 — —
SCHEMBL17276415 0.85 ALDH1A1 (0.63) KDM4EALDH1A1MAPTTSHRMAPK1
SCHEMBL17276459 0.83 LMNA (0.54) —
SCHEMBL17276591 0.82 ALDH1A1 (0.62) KDM4EALDH1A1MAPTTSHRMAPK1
SCHEMBL17276478 0.82 ALDH1A1 (0.62) KDM4EALDH1A1MAPTTSHRMAPK1
SCHEMBL17276358 0.81 ALDH1A1 (0.61) KDM4EALDH1A1MAPTTSHRMAPK1
SCHEMBL19078799 0.81 FABP6 (0.55) KDM4EALDH1A1MAPT
SCHEMBL17276509 0.80 ALDH1A1 (0.59) KDM4EALDH1A1MAPTTSHRMAPK1
SCHEMBL19088599 0.80 ALDH1A1 (0.52) KDM4EALDH1A1MAPTTSHRMAPK1
SCHEMBL19078746 0.80 KDM4E (0.53) KDM4EALDH1A1POLB

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 1322/4885MAPT 4504/4885

“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.

Send feedback