SCHEMBL9897404

SCHEMBL9897404

CNC1(N)CCN(Cc2c[nH]c3ncnc(Nc4cccc(Br)c4)c23)CC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGFR P00533 16/20 0.51
ABL1 P00519 2/20 0.46
ABL2 P42684 2/20 0.46
ERBB2 P04626 2/20 0.45
BRAF P15056 2/20 0.44
TNNI3K Q59H18 2/20 0.44
AURKA O14965 1/20 0.43
AURKB Q96GD4 1/20 0.43
INCENP Q9NQS7 1/20 0.43
KDR P35968 1/20 0.42
TTBK1 Q5TCY1 1/20 0.41
TTBK2 Q6IQ55 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TNK2 Q07912 1/20 0.40
MKNK1 Q9BUB5 1/20 0.40

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
SCHEMBL9928317 0.92 EGFR (0.51) EGFRABL1ABL2ERBB2BRAF
SCHEMBL9928295 0.91 EGFR (0.52) EGFRABL1ABL2ERBB2BRAF
SCHEMBL9928321 0.88 EGFR (0.48) EGFRABL1ABL2ERBB2BRAF
SCHEMBL9928299 0.86 EGFR (0.48) EGFRABL1ABL2ERBB2BRAF
SCHEMBL9943135 0.85 EGFR (0.51) EGFRABL1ABL2ERBB2BRAF
SCHEMBL9928291 0.85 EGFR (0.53) EGFRABL1ABL2ERBB2BRAF
SCHEMBL9903974 0.84 EGFR (0.64) EGFRABL1ABL2ERBB2AURKA
SCHEMBL9928301 0.83 EGFR (0.51) EGFRABL1ABL2ERBB2BRAF
SCHEMBL9898479 0.80 EGFR (0.43) EGFRABL1ABL2ERBB2BRAF
SCHEMBL9943144 0.80 BRAF (0.45) EGFRERBB2BRAFTNNI3KTTBK1

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
CN-102482281-A Pyrrolo [2,3-D ] pyrimidine derivatives DAIICHI SANKYO CO LTD 2012-05-30 CN 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 2/4885ABL1 6/4885ABL2 75/4885

“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.