SCHEMBL9928263

SCHEMBL9928263

COc1ccc(Nc2ncnc3[nH]cc(CN4CCC(N)CC4)c23)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 8/20 0.48
ERBB2 P04626 7/20 0.48
TTBK1 Q5TCY1 2/20 0.45
TTBK2 Q6IQ55 2/20 0.45
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42
LIMK2 P53671 1/20 0.42
PDPK1 O15530 1/20 0.42
AXL P30530 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
BTK Q06187 2/20 0.41
BRAF P15056 1/20 0.41
TNNI3K Q59H18 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KDR P35968 2/20 0.41
LCK P06239 1/20 0.41

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
SCHEMBL9928303 0.92 TTBK1 (0.45) EGFRERBB2TTBK1TTBK2DRD4
SCHEMBL9898236 0.85 TTBK1 (0.44) EGFRTTBK1TTBK2DRD4DRD3
SCHEMBL13471641 0.83 BTK (0.53) LIMK2ALDH1A1BTK
SCHEMBL9928315 0.82 EGFR (0.53) EGFRERBB2KDRLCK
SCHEMBL9943134 0.82 EGFR (0.46) EGFRERBB2KDRLCK
SCHEMBL9904088 0.82 EGFR (0.46) EGFRERBB2KDRLCK
SCHEMBL9904005 0.80 EGFR (0.65) EGFRERBB2KDRLCK
SCHEMBL9903987 0.80 ERBB2 (0.46) EGFRERBB2KDRLCK
SCHEMBL9943059 0.79 EGFR (0.49) EGFRERBB2BRAFTNNI3K
SCHEMBL9903999 0.79 EGFR (0.64) EGFRERBB2TTBK1TTBK2BRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2511276-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE Ube Industries, Ltd. (JP) 2012-10-17 EP disclosed
US-20120149902-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE UBE INDUSTRIES, LTD. (JP) 2012-06-14 US disclosed
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 EGFR 2/4885ERBB2 1/4885TTBK1 417/4885

“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.