SCHEMBL1945808

SCHEMBL1945808

C[C@H](Nc1ccc(Cl)c(-c2cc(F)ncc2Cl)n1)C1CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 14/20 0.44
CDK9 P50750 5/20 0.42
CCNK O75909 1/20 0.42
ABL1 P00519 1/20 0.37
IDH1 O75874 1/20 0.35
PIP5K1C O60331 1/20 0.35
PIK3CA P42336 1/20 0.35
CSF1R P07333 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL1946413 1.00 CCNT1 (0.44) CCNT1CDK9CCNKABL1IDH1
SCHEMBL1463037 1.00 CCNT1 (0.44) CCNT1CDK9CCNKABL1IDH1
SCHEMBL1461835 0.88 CCNT1 (0.44) CCNT1CDK9ABL1CSF1R
SCHEMBL1947637 0.88 CCNT1 (0.44) CCNT1CDK9ABL1CSF1R
SCHEMBL1947509 0.88 CCNT1 (0.44) CCNT1CDK9ABL1CSF1R
SCHEMBL1192562 0.79 CCNT1 (0.68) CCNT1CDK9CCNK
SCHEMBL1464131 0.77 CCNT1 (0.46) CCNT1CDK9PIK3CACSF1RMAPK1
SCHEMBL1463040 0.77 CCNT1 (0.55) CCNT1CDK9CCNK
SCHEMBL1461871 0.74 CSF1R (0.36) IDH1PIP5K1CCSF1RMAPK1
SCHEMBL1461873 0.74 CSF1R (0.36) IDH1PIP5K1CCSF1RMAPK1

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
WO-2012101063-A1 N-ACYL PYRIDINE BIARYL COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2012-08-02 WO disclosed
WO-2012101064-A1 N-ACYL PYRIMIDINE BIARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS NOVARTIS AG (CH) 2012-08-02 WO disclosed
US-20110130380-A1 Heteroaryl Kinase Inhibitors NOVARTIS AG (CH) 2011-06-02 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-20110130380-A1 Heteroaryl Kinase Inhibitors CDK2, CDK1, CDKL1 CCNT1 47/4885CDK9 5/4885CCNK 21/4885

“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.