SCHEMBL9900265

SCHEMBL9900265

CC1CN(Cc2c[nH]c3ncnc(Nc4ccc(Cl)cc4)c23)CCC1NC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BTK Q06187 10/20 0.42
MKNK1 Q9BUB5 1/20 0.41
AAK1 Q2M2I8 3/20 0.41
EGFR P00533 2/20 0.38
JAK3 P52333 2/20 0.38
CDK1 P06493 1/20 0.38
SRC P12931 1/20 0.36
DDR1 Q08345 1/20 0.35

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
SCHEMBL9900267 1.00 BTK (0.42) BTKMKNK1AAK1EGFRJAK3
SCHEMBL9900273 1.00 BTK (0.42) BTKMKNK1AAK1EGFRJAK3
SCHEMBL9943149 0.86 BTK (0.42) BTKJAK3
SCHEMBL9928305 0.83 TTBK1 (0.39) MKNK1EGFRJAK3
SCHEMBL9896860 0.83 BTK (0.40) BTKJAK3DDR1
SCHEMBL9896856 0.83 BTK (0.40) BTKJAK3DDR1
SCHEMBL9896857 0.83 BTK (0.40) BTKJAK3DDR1
SCHEMBL9898572 0.82 EGFR (0.38) MKNK1AAK1EGFRJAK3SRC
SCHEMBL9898573 0.82 EGFR (0.38) MKNK1AAK1EGFRJAK3SRC
SCHEMBL9898576 0.82 EGFR (0.38) MKNK1AAK1EGFRJAK3SRC

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 BTK 50/4885MKNK1 1537/4885AAK1 709/4885

“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.