SCHEMBL9950123

SCHEMBL9950123

C[C@@H](O)CNc1cncc(-c2cc(N)ncc2Cl)n1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CCNT1 O60563 14/20 0.43
KDR P35968 2/20 0.34
ESR1 P03372 1/20 0.33

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
SCHEMBL9949642 1.00 SMN1; SMN2 (0.45) SMN1; SMN2KDM4EALDH1A1CCNT1KDR
SCHEMBL9950120 0.84 KDM4E (0.41) SMN1; SMN2KDM4EALDH1A1CCNT1
SCHEMBL9949639 0.84 KDM4E (0.41) SMN1; SMN2KDM4EALDH1A1CCNT1
SCHEMBL9950178 0.78 CCNT1 (0.44) ALDH1A1CCNT1
SCHEMBL9950510 0.78 CCNT1 (0.50) ALDH1A1CCNT1
SCHEMBL9949608 0.77 CCNT1 (0.60) CCNT1
SCHEMBL9950496 0.74 CCNT1 (0.63) KDM4EALDH1A1CCNT1
SCHEMBL9949998 0.74 CCNT1 (0.63) CCNT1
SCHEMBL9949473 0.73 CCNT1 (0.51) SMN1; SMN2KDM4ECCNT1
SCHEMBL9949452 0.73 CCNT1 (0.59) CCNT1

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-20120165306-A1 PYRAZINYLPYRIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2012-06-28 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-20120165306-A1 PYRAZINYLPYRIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES CDK4, CDK1, CCNI SMN1; SMN2 2827/4885KDM4E 1223/4885ALDH1A1 1528/4885

“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.