SCHEMBL985191

SCHEMBL985191

CC1(C)CC(C(=O)N2CC=C(c3cnc(N)c(-c4nnnn4-c4cccc(F)c4F)c3)CC2)CCO1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 7/20 0.36
ALDH1A1 P00352 2/20 0.34
PIK3CA P42336 2/20 0.33
CCNT1 O60563 1/20 0.33
CDK9 P50750 1/20 0.33
GRM1 Q13255 3/20 0.32
GRM5 P41594 2/20 0.32
PDE4B Q07343 1/20 0.32
HRH1 P35367 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32
LRRK2 Q5S007 1/20 0.32
EED O75530 2/20 0.32
RBBP4 Q09028 2/20 0.32
SUZ12 Q15022 2/20 0.32
EZH2 Q15910 2/20 0.32
KDM4E B2RXH2 1/20 0.32
USP2 O75604 1/20 0.32
GAA P10253 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 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
SCHEMBL984432 0.90 NAMPT (0.43) NAMPTALDH1A1EEDRBBP4SUZ12
SCHEMBL987001 0.89 ALDH1A1 (0.38) NAMPTALDH1A1CCNT1CDK9GRM1
SCHEMBL986509 0.88 NAMPT (0.45) NAMPTCCNT1CDK9EEDRBBP4
SCHEMBL985958 0.88 NAMPT (0.45) NAMPTCCNT1CDK9EEDRBBP4
SCHEMBL988378 0.85 ERN1 (0.40) CCNT1CDK9GRM1GRM5HRH1
SCHEMBL985481 0.85 CCNT1 (0.42) NAMPTPIK3CACCNT1CDK9
SCHEMBL985952 0.85 NAMPT (0.42) NAMPTPIK3CACCNT1CDK9GRM5
SCHEMBL986638 0.83 CCNT1 (0.34) NAMPTCCNT1CDK9GRM1GRM5
SCHEMBL986639 0.83 CCNT1 (0.34) NAMPTCCNT1CDK9GRM1GRM5
SCHEMBL986953 0.83 CCNT1 (0.34) NAMPTCCNT1CDK9GRM1GRM5

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 13 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
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

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 3388/4885ALDH1A1 3864/4885PIK3CA 145/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 NAMPT 3388/4885ALDH1A1 3864/4885PIK3CA 145/4885

“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.