SCHEMBL9928289

SCHEMBL9928289

Cc1ccc(Nc2ncnc3[nH]cc(CN4CCC(C)CC4)c23)cc1Br

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AXL P30530 4/20 0.39
MERTK Q12866 4/20 0.39
MET P08581 3/20 0.39
BRAF P15056 3/20 0.39
TNNI3K Q59H18 3/20 0.39
EGFR P00533 7/20 0.38
ERBB2 P04626 7/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
EPHA2 P29317 1/20 0.37
ACHE P22303 1/20 0.37
KDR P35968 1/20 0.36
ROCK2 O75116 1/20 0.36
LIMK1 P53667 1/20 0.36
LIMK2 P53671 1/20 0.36
ROCK1 Q13464 1/20 0.36
LRRK2 Q5S007 1/20 0.36

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
SCHEMBL9904088 0.93 EGFR (0.46) EGFRERBB2KDR
SCHEMBL9928291 0.86 EGFR (0.53) BRAFTNNI3KEGFRERBB2KDR
SCHEMBL9928293 0.85 ERBB2 (0.44) BRAFTNNI3KEGFRERBB2DRD2
SCHEMBL9897560 0.83 BTK (0.51) KDR
SCHEMBL9928280 0.82 EGFR (0.54) EGFRERBB2KDR
SCHEMBL9928282 0.82 EGFR (0.53) BRAFTNNI3KEGFRERBB2LRRK2
SCHEMBL9928303 0.82 TTBK1 (0.45) AXLMERTKMETBRAFTNNI3K
SCHEMBL9928279 0.81 LRRK2 (0.39) AXLMERTKMETBRAFTNNI3K
SCHEMBL9943134 0.81 EGFR (0.46) EGFRERBB2KDR
SCHEMBL9928294 0.81 EGFR (0.38) MERTKBRAFTNNI3KEGFRERBB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120149902-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE UBE INDUSTRIES, LTD. (JP) 2012-06-14 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-20120149902-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE ERBB2, EGFR, FGFR1 AXL 274/4885MERTK 810/4885MET 38/4885

“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.