SCHEMBL9898368

SCHEMBL9898368

C#Cc1cccc(Nc2ncnc3[nH]cc(CN4CCC(NC(=O)OC(C)(C)C)CC4)c23)c1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 3/20 0.48
EGFR P00533 5/20 0.46
ERBB2 P04626 1/20 0.46
BTK Q06187 10/20 0.46
LRRK2 Q5S007 1/20 0.39
KCNA3 P22001 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
SCHEMBL9898208 0.89 AAK1 (0.48) AAK1EGFRERBB2BTK
SCHEMBL9897164 0.89 AAK1 (0.50) AAK1EGFRERBB2BTKLRRK2
SCHEMBL9897618 0.87 AAK1 (0.47) AAK1EGFRBTKKCNA3
SCHEMBL9895699 0.86 EGFR (0.41) EGFRERBB2
SCHEMBL9898681 0.85 EGFR (0.53) AAK1EGFRERBB2LRRK2
SCHEMBL9897094 0.85 AAK1 (0.51) AAK1EGFRERBB2BTK
SCHEMBL9897560 0.84 BTK (0.51) AAK1BTKKCNA3
SCHEMBL9900019 0.84 EGFR (0.52) EGFRERBB2
SCHEMBL9928288 0.83 EGFR (0.55) EGFRERBB2LRRK2
SCHEMBL9897577 0.83 AAK1 (0.52) AAK1BTKKCNA3

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 AAK1 709/4885EGFR 2/4885ERBB2 1/4885

“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.