SCHEMBL2459686

SCHEMBL2459686

CSc1nccc(C(=CN(C)C)C(=O)C(C)C)n1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.33
ALOX15 P16050 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL2459682 1.00 ACACB (0.33) ACACBALOX15SMN1; SMN2KMT2AMEN1
SCHEMBL29259340 0.85 ALOX15 (0.36) ACACBALOX15SMN1; SMN2KMT2AMEN1
SCHEMBL9956904 0.85 ALOX15 (0.33) ACACBALOX15SMN1; SMN2KMT2AMEN1
SCHEMBL9956901 0.85 ALOX15 (0.33) ACACBALOX15SMN1; SMN2KMT2AMEN1
SCHEMBL2925772 0.80 LMNA (0.38) SMN1; SMN2KMT2AMEN1NPC1RAB9A
SCHEMBL2925771 0.80 LMNA (0.38) SMN1; SMN2KMT2AMEN1NPC1RAB9A
SCHEMBL30781497 0.79 ALDH1A1 (0.37) ALOX15SMN1; SMN2KMT2AMEN1NPC1
SCHEMBL1555344 0.78 ALDH1A1 (0.38) SMN1; SMN2KMT2ARAB9A
SCHEMBL1554250 0.78 ALDH1A1 (0.38) SMN1; SMN2KMT2ARAB9A
SCHEMBL1554251 0.78 ALDH1A1 (0.38) SMN1; SMN2KMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367687-B2 Pyrazole derivatives NOVARTIS AG (CH) 2013-02-05 US disclosed
EP-2231636-B1 PYRAZOLE DERIVATIVES AND USE THEREOF AS INHIBITORS OF CYCLIN DEPENDENT KINASES NOVARTIS AG (CH) 2011-09-14 EP disclosed
US-20100280033-A1 Pyrazole Derivatives NOVARTIS AG 2010-11-04 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-20100280033-A1 Pyrazole Derivatives PRKDC, PRKACA, PDK2 ACACB 908/4885ALOX15 3231/4885SMN1; SMN2 3738/4885

“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.