SCHEMBL985952

SCHEMBL985952

Nc1ncc(C2=CCN(C(=O)C3CCOC3)CCC2)cc1-c1nnnn1-c1cccc(F)c1F

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 13/20 0.42
CCNT1 O60563 1/20 0.36
CDK9 P50750 1/20 0.36
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
KCNH2 Q12809 1/20 0.35
GRM5 P41594 1/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
EED O75530 1/20 0.33
RBBP4 Q09028 1/20 0.33
SUZ12 Q15022 1/20 0.33
EZH2 Q15910 1/20 0.33
KCNK3 O14649 1/20 0.33
PIK3CA P42336 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
SCHEMBL985314 0.97 CCNT1 (0.40) NAMPTCCNT1CDK9GABRG2GABRB3
SCHEMBL985958 0.96 NAMPT (0.45) NAMPTCCNT1CDK9GABRG2GABRB3
SCHEMBL986509 0.96 NAMPT (0.45) NAMPTCCNT1CDK9GABRG2GABRB3
SCHEMBL985481 0.94 CCNT1 (0.42) NAMPTCCNT1CDK9GABRG2GABRB3
SCHEMBL984432 0.92 NAMPT (0.43) NAMPTJAK2JAK1EEDRBBP4
SCHEMBL987001 0.88 ALDH1A1 (0.38) NAMPTCCNT1CDK9GRM5JAK2
SCHEMBL2074556 0.87 CDK9 (0.32) NAMPTCCNT1CDK9
SCHEMBL987228 0.87 KCNN4 (0.35) CCNT1CDK9GRM5
SCHEMBL984594 0.86 ERN1 (0.37) CCNT1CDK9GRM5
SCHEMBL986715 0.85 JAK2 (0.37) NAMPTCCNT1CDK9GRM5JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8232406-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-31 US claimed
US-20110059936-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-10 US claimed
US-7872031-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-01-18 US claimed
EP-2004625-B1 C-MET PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS VERTEX PHARMA (US) 2009-12-30 EP claimed
US-20070254868-A1 C-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-11-01 US claimed
US-8232406-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-31 US disclosed
US-8232406-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-31 US disclosed
US-20110059936-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-10 US disclosed
US-20110059936-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-10 US disclosed
US-7872031-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-01-18 US disclosed
US-7872031-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-01-18 US disclosed
EP-2004625-B1 C-MET PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS VERTEX PHARMA (US) 2009-12-30 EP disclosed
US-20070254868-A1 C-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-11-01 US disclosed
US-20070254868-A1 C-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-11-01 US disclosed
WO-2007111904-A2 C-MET PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-04 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 (2 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-20110059936-A1 C-MET PROTEIN KINASE INHIBITORS MET, PRKCH, ABL1 NAMPT 3388/4885CCNT1 1060/4885CDK9 288/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 NAMPT 3388/4885CCNT1 1060/4885CDK9 288/4885

“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.