SCHEMBL4086378

SCHEMBL4086378

CC(C)n1cc(C(=O)c2cncc(Br)c2)c2c(Cl)ncnc21

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 19/20 0.52
KCNH2 Q12809 2/20 0.51
NTRK3 Q16288 2/20 0.51
NTRK2 Q16620 2/20 0.51
PDPK1 O15530 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
SCHEMBL4076506 0.85 NTRK1 (0.45) NTRK1
SCHEMBL12985428 0.82 NTRK1 (0.71) NTRK1
SCHEMBL12985700 0.78 NTRK1 (0.54) NTRK1KCNH2NTRK3NTRK2
SCHEMBL4079468 0.78 PDGFRB (0.49) NTRK1KCNH2NTRK3NTRK2PDPK1
SCHEMBL4079290 0.76 PDPK1 (0.64) NTRK1KCNH2NTRK3NTRK2PDPK1
SCHEMBL4079535 0.74 PDPK1 (0.45) NTRK1KCNH2NTRK3NTRK2PDPK1
SCHEMBL12984893 0.72 NTRK1 (0.45) NTRK1KCNH2NTRK3NTRK2
SCHEMBL4076364 0.71 KDM4E (0.43) NTRK1
SCHEMBL5316496 0.71 PDGFRB (0.43) NTRK1KCNH2NTRK3NTRK2
SCHEMBL4080430 0.70 PDGFRB (0.79) NTRK1KCNH2NTRK3NTRK2PDPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773836-B1 PYRROLOPYRIMIDINE DERIVATIVES USEFUL IN CANCER TREATMENT PFIZER PROD INC (US) 2012-09-05 EP disclosed
US-7595325-B2 Substituted pyrrolo[2,3-d]pyrimidine derivatives useful in cancer treatment PFIZER INC. (US) 2009-09-29 US disclosed
EP-1773836-A1 PYRROLOPYRIMIDINE DERIVATIVES USEFUL IN CANCER TREATMENT Pfizer Products Inc. (US) 2007-04-18 EP disclosed
US-20060035912-A1 Pyrrolopyrimidine derivatives useful in cancer treatment PFIZER INC 2006-02-16 US disclosed
WO-2005116035-A1 PYRROLOPYRIMIDINE DERIVATIVES USEFUL IN CANCER TREATMENT PFIZER PRODUCTS INC. (US) 2005-12-08 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-20060035912-A1 Pyrrolopyrimidine derivatives useful in cancer treatment TP53, DPYD, CCNT1 NTRK1 3916/4885KCNH2 1718/4885NTRK3 2158/4885

“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.