SCHEMBL19337253

SCHEMBL19337253

COc1cc(N(C)CCN(C)C)c(N)cc1Nc1nccc(-n2c(=O)n(CC(F)(F)F)c3ccccc32)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.47
INSR P06213 2/20 0.43
KCNH2 Q12809 2/20 0.43
MLNR O43193 1/20 0.43
KDM1A O60341 1/20 0.43
ABCB11 O95342 1/20 0.43
ERBB2 P04626 1/20 0.43
CHRM2 P08172 1/20 0.43
HTR1A P08908 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
DRD2 P14416 1/20 0.43
NQO2 P16083 1/20 0.43
ADRA2C P18825 1/20 0.43
DRD1 P21728 1/20 0.43
ERBB3 P21860 1/20 0.43
SLC6A2 P23975 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
ADORA2A P29274 1/20 0.43
SLC6A4 P31645 1/20 0.43

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
SCHEMBL19337172 0.91 EGFR (0.49) EGFRINSRKCNH2MLNRKDM1A
SCHEMBL19337117 0.90 EGFR (0.47) EGFRINSRKCNH2MLNRKDM1A
SCHEMBL19707592 0.88 EGFR (0.48) EGFRINSRKCNH2MLNRKDM1A
SCHEMBL29464095 0.88 EGFR (0.47) EGFRINSRKCNH2MLNRKDM1A
SCHEMBL20357853 0.88 EGFR (0.47) EGFRINSRKCNH2MLNRKDM1A
SCHEMBL30011736 0.88 EGFR (0.52) EGFRINSRKCNH2MLNRKDM1A
SCHEMBL18387041 0.88 EGFR (0.52) EGFRINSRKCNH2MLNRKDM1A
SCHEMBL29464105 0.87 EGFR (0.50) EGFRINSRKCNH2MLNRKDM1A
SCHEMBL18585463 0.87 EGFR (0.50) EGFRINSRKCNH2MLNRKDM1A
SCHEMBL29464103 0.87 EGFR (0.50) EGFRINSRKCNH2MLNRKDM1A

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-3885344-A2 PYRIMIDINE COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USES THEREOF InventisBio Co., Ltd. (CN) 2021-09-29 EP disclosed
US-20170355696-A1 PYRIMIDINE OR PYRIDINE COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USES THEREOF InventisBio Co., Ltd. (CN) 2017-12-14 US disclosed
EP-3216786-A1 PYRIMIDINE OR PYRIDINE COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USES THEREOF Shanghai Shaletech Technology Co., Ltd. (CN) 2017-09-13 EP 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-20170355696-A1 PYRIMIDINE OR PYRIDINE COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USES THEREOF EGFR, WEE1, DPYD EGFR 1/4885INSR 478/4885KCNH2 4122/4885

“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.