SCHEMBL3977569

SCHEMBL3977569

CN(C)CCNC(=O)c1ccc(-c2ncnc(Nc3ccc(OC(F)(F)F)cc3)n2)cc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 1/20 0.60
CCNA2 P20248 1/20 0.60
CDK2 P24941 1/20 0.60
CDK9 P50750 1/20 0.60
BRAF P15056 1/20 0.52
MCHR1 Q99705 1/20 0.52
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
CDC7 O00311 1/20 0.49
CDK19 Q9BWU1 1/20 0.49
ALDH1A1 P00352 1/20 0.48
AURKA O14965 1/20 0.48
AURKB Q96GD4 1/20 0.48
CHRNA7 P36544 3/20 0.48
IDH1 O75874 1/20 0.48
ABL1 P00519 1/20 0.47
BCR P11274 1/20 0.47

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
SCHEMBL3970683 0.88 ABL1 (0.59) HDAC4HDAC6CHRNA7ABL1BCR
SCHEMBL1499450 0.85 MCHR1 (0.65) MCHR1HDAC4HDAC1HDAC6ALDH1A1
SCHEMBL3973397 0.81 CHRNA7 (0.55) AURKACHRNA7ABL1BCR
SCHEMBL3981035 0.80 CHRNA7 (0.55) CHRNA7ABL1BCR
SCHEMBL3214773 0.80 JAK2 (0.56) MCHR1CDC7CDK19IDH1
SCHEMBL24942916 0.78 CCNT1 (0.73) CCNT1CCNA2CDK2CDK9BRAF
SCHEMBL1499622 0.75 MCHR1 (0.53) MCHR1ALDH1A1IDH1ABL1BCR
SCHEMBL24942665 0.75 CCNT1 (1.00) CCNT1CCNA2CDK2CDK9BRAF
SCHEMBL13605511 0.74 BRAF (0.60) CCNT1CCNA2CDK2CDK9BRAF
SCHEMBL20685241 0.74 IDH1 (0.54) CCNT1CCNA2CDK2CDK9MCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1613595-A4 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-04-01 EP disclosed
EP-1613595-A2 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2006-01-11 EP disclosed
US-20050014753-A1 Novel compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2005-01-20 US disclosed
WO-2004089286-A2 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2004-10-21 WO 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-20050014753-A1 Novel compounds and compositions as protein kinase inhibitors ABL1, BCR, PDGFRA CCNT1 925/4885CCNA2 849/4885CDK2 95/4885

“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.