SCHEMBL9899608

SCHEMBL9899608

COCC1(NC(=O)OC(C)(C)C)CCN(Cc2c[nH]c3ncnc(Nc4ccc5occc5c4)c23)CC1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.34
AAK1 Q2M2I8 1/20 0.34
BTK Q06187 5/20 0.33
JAK1 P23458 4/20 0.32
NPFFR1 Q9GZQ6 1/20 0.32
NPFFR2 Q9Y5X5 1/20 0.32
ERBB2 P04626 2/20 0.32
CDK1 P06493 1/20 0.32
MKNK1 Q9BUB5 1/20 0.31
EGFR P00533 1/20 0.31
SRC P12931 1/20 0.31
JAK2 O60674 1/20 0.31
BRAF P15056 1/20 0.31
TNNI3K Q59H18 1/20 0.31
CPB2 Q96IY4 1/20 0.31

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
SCHEMBL9899033 0.90 AAK1 (0.35) KDRAAK1BTKJAK1ERBB2
SCHEMBL9898864 0.85 EGFR (0.42) KDRJAK1ERBB2MKNK1EGFR
SCHEMBL9928300 0.84 KDR (0.34) KDRERBB2EGFRBRAFTNNI3K
SCHEMBL9928322 0.84 KDR (0.34) KDRERBB2EGFRBRAFTNNI3K
SCHEMBL9898642 0.84 AAK1 (0.48) AAK1BTKERBB2EGFR
SCHEMBL9928298 0.81 BRAF (0.36) KDRAAK1ERBB2EGFRBRAF
SCHEMBL9928319 0.80 TTBK1 (0.42) KDRERBB2EGFRBRAFTNNI3K
SCHEMBL9943132 0.79 NPFFR1 (0.37) BTKNPFFR1NPFFR2
SCHEMBL9943065 0.76 MKNK1 (0.42) AAK1BTKNPFFR1NPFFR2CDK1
SCHEMBL9897723 0.76 MKNK1 (0.46) KDRAAK1BTKMKNK1EGFR

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 KDR 112/4885AAK1 709/4885BTK 50/4885

“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.