SCHEMBL9897094

SCHEMBL9897094

CC(C)(C)OC(=O)NC1CCN(Cc2c[nH]c3ncnc(Nc4ccc(Cl)c(Cl)c4)c23)CC1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 3/20 0.51
BTK Q06187 10/20 0.50
EGFR P00533 2/20 0.40
ERBB2 P04626 2/20 0.40
EPHA2 P29317 2/20 0.40
EPHB4 P54760 2/20 0.40
KDR P35968 2/20 0.39
CCR2 P41597 1/20 0.39

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
SCHEMBL9898224 0.93 AAK1 (0.56) AAK1BTKEGFRERBB2KDR
SCHEMBL9897164 0.90 AAK1 (0.50) AAK1BTKEGFRERBB2EPHA2
SCHEMBL9897560 0.88 BTK (0.51) AAK1BTKKDR
SCHEMBL13471641 0.87 BTK (0.53) AAK1BTK
SCHEMBL9898208 0.87 AAK1 (0.48) AAK1BTKEGFRERBB2EPHA2
SCHEMBL9898642 0.86 AAK1 (0.48) AAK1BTKEGFRERBB2
SCHEMBL9943131 0.86 AAK1 (0.48) AAK1BTKEGFRCCR2
SCHEMBL9897577 0.86 AAK1 (0.52) AAK1BTK
SCHEMBL9898368 0.85 AAK1 (0.48) AAK1BTKEGFRERBB2
SCHEMBL9897618 0.85 AAK1 (0.47) AAK1BTKEGFR

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 4 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
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 AAK1 709/4885BTK 50/4885EGFR 2/4885

“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.