SCHEMBL9898236

SCHEMBL9898236

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTBK1 Q5TCY1 3/20 0.44
TTBK2 Q6IQ55 3/20 0.44
BRAF P15056 1/20 0.42
TNNI3K Q59H18 1/20 0.42
DRD4 P21917 2/20 0.41
DRD3 P35462 2/20 0.41
PDPK1 O15530 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
EGFR P00533 1/20 0.40
PDGFRB P09619 1/20 0.40
KDR P35968 1/20 0.40
AXL P30530 1/20 0.40
DRD2 P14416 1/20 0.39
MAPT P10636 3/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
HPGD P15428 2/20 0.39
HTT P42858 1/20 0.39
DYRK1A Q13627 1/20 0.38

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
SCHEMBL9943097 0.89 EGFR (0.43) TTBK1TTBK2BRAFTNNI3KEGFR
SCHEMBL9928318 0.89 EGFR (0.48) BRAFTNNI3KNPC1RAB9AEGFR
SCHEMBL9928264 0.88 STK4 (0.46) TTBK1TTBK2BRAFTNNI3KDRD4
SCHEMBL9928303 0.85 TTBK1 (0.45) TTBK1TTBK2BRAFTNNI3KDRD4
SCHEMBL9928263 0.85 EGFR (0.48) TTBK1TTBK2BRAFTNNI3KDRD4
SCHEMBL9928296 0.82 EGFR (0.52) BRAFTNNI3KNPC1RAB9AEGFR
SCHEMBL9928304 0.81 DRD4 (0.43) TTBK1TTBK2BRAFTNNI3KDRD4
SCHEMBL9928317 0.81 EGFR (0.51) TTBK1TTBK2BRAFTNNI3KEGFR
SCHEMBL9943144 0.81 BRAF (0.45) TTBK1TTBK2BRAFTNNI3KEGFR
SCHEMBL9928319 0.81 TTBK1 (0.42) TTBK1TTBK2BRAFTNNI3KEGFR

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 2 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

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 TTBK1 417/4885TTBK2 475/4885BRAF 131/4885

“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.