SCHEMBL9950120

SCHEMBL9950120

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

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CCNT1 O60563 10/20 0.40
CNR2 P34972 1/20 0.37
FFAR4 Q5NUL3 2/20 0.36
SYK P43405 3/20 0.34
SIRT6 Q8N6T7 1/20 0.34
BRAF P15056 1/20 0.32

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
SCHEMBL9949639 1.00 KDM4E (0.41) KDM4EALDH1A1SMN1; SMN2CCNT1CNR2
SCHEMBL9949642 0.84 SMN1; SMN2 (0.45) KDM4EALDH1A1SMN1; SMN2CCNT1
SCHEMBL9950123 0.84 SMN1; SMN2 (0.45) KDM4EALDH1A1SMN1; SMN2CCNT1
SCHEMBL9950504 0.81 CCNT1 (0.48) ALDH1A1CCNT1BRAF
SCHEMBL9950176 0.81 PIM1 (0.43) CCNT1BRAF
SCHEMBL9949605 0.80 CCNT1 (0.57) CCNT1
SCHEMBL9950495 0.78 CCNT1 (0.49) KDM4EALDH1A1CCNT1BRAF
SCHEMBL9949992 0.78 CCNT1 (0.50) CCNT1BRAF
SCHEMBL9950800 0.77 SIRT6 (0.44) CNR2SIRT6
SCHEMBL9949449 0.77 CCNT1 (0.51) 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 KDM4E 1223/4885ALDH1A1 1528/4885SMN1; SMN2 2827/4885

“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.