SCHEMBL22997449

SCHEMBL22997449

CCC(c1ccc(F)cc1)N1Cc2ccccc2C1=O

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.59
KMT2A Q03164 5/20 0.59
MAPT P10636 6/20 0.58
TDP1 Q9NUW8 2/20 0.58
TP53 P04637 3/20 0.53
PDE2A O00408 1/20 0.48
POLB P06746 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
XIAP P98170 1/20 0.47
HKDC1 Q2TB90 1/20 0.47
HSD17B10 Q99714 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL21473592 0.86 MEN1 (0.55) MEN1KMT2AMAPTTDP1TP53
SCHEMBL6289218 0.79 TP53 (0.60) MEN1KMT2AMAPTTP53
SCHEMBL6287582 0.79 TP53 (0.60) MEN1KMT2AMAPTTP53
SCHEMBL4856275 0.79 TP53 (0.60) MEN1KMT2AMAPTTP53
SCHEMBL21473591 0.78 MAPT (0.47) MEN1KMT2AMAPTTDP1TP53
SCHEMBL15146902 0.76 KMT2A (0.55) MEN1KMT2AMAPTTDP1POLB
SCHEMBL24369041 0.75 KMT2A (0.54) MEN1KMT2AMAPTTDP1POLB
SCHEMBL24369040 0.75 KMT2A (0.54) MEN1KMT2AMAPTTDP1POLB
SCHEMBL24369039 0.75 KMT2A (0.54) MEN1KMT2AMAPTTDP1POLB
SCHEMBL31252800 0.75 KMT2A (0.54) MEN1KMT2AMAPTTDP1POLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210155604-A1 QUINAZOLINE COMPOUND SERVING AS EGFR TRIPLE MUTATION INHIBITOR AND APPLICATIONS THEREOF EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2021-05-27 US disclosed
EP-3778586-A1 QUINAZOLINE COMPOUND SERVING AS EGFR TRIPLE MUTATION INHIBITOR AND APPLICATIONS THEREOF East China University of Science and Technology (CN) 2021-02-17 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-20210155604-A1 QUINAZOLINE COMPOUND SERVING AS EGFR TRIPLE MUTATION INHIBITOR AND APPLICATIONS THEREOF EGFR, ERBB2, ERBB4 MEN1 4480/4885KMT2A 3689/4885MAPT 2970/4885

“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.