SCHEMBL18360830

SCHEMBL18360830

O=C(NCc1ccccc1)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB P10828 5/20 0.70
ALOX15 P16050 2/20 0.66
KDM4E B2RXH2 1/20 0.66
ALDH1A1 P00352 1/20 0.66
TSHR P16473 1/20 0.66
XIAP P98170 1/20 0.66
HKDC1 Q2TB90 1/20 0.66
HSD17B10 Q99714 1/20 0.66
TDP1 Q9NUW8 1/20 0.66
L3MBTL1 Q9Y468 1/20 0.66
GAA P10253 1/20 0.64
EGFR P00533 1/20 0.58
LMNA P02545 3/20 0.57
MAPT P10636 1/20 0.56

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
SCHEMBL20527803 1.00 THRB (0.70) THRBALOX15KDM4EALDH1A1TSHR
SCHEMBL22997474 0.86 THRB (0.75) THRBALOX15KDM4EALDH1A1TSHR
SCHEMBL21473669 0.82 THRB (0.79) THRBALOX15KDM4EALDH1A1TSHR
SCHEMBL22997167 0.82 THRB (0.79) THRBALOX15KDM4EALDH1A1TSHR
SCHEMBL21473573 0.81 THRB (1.00) THRBALOX15KDM4EALDH1A1TSHR
SCHEMBL18360800 0.81 THRB (0.84) THRBALOX15KDM4EALDH1A1TSHR
SCHEMBL20527883 0.81 THRB (0.84) THRBALOX15KDM4EALDH1A1TSHR
SCHEMBL17357510 0.80 ALOX15 (1.00) THRBALOX15KDM4EALDH1A1TSHR
SCHEMBL7741515 0.80 ALOX15 (1.00) THRBALOX15KDM4EALDH1A1TSHR
SCHEMBL18360796 0.80 ALOX15 (1.00) THRBALOX15KDM4EALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3317273-B1 INHIBITORS OF EGFR AND METHODS OF USE THEREOF DANA FARBER CANCER INST INC (US) 2021-12-29 EP claimed
EP-3317273-B1 INHIBITORS OF EGFR AND METHODS OF USE THEREOF DANA FARBER CANCER INST INC (US) 2021-12-29 EP disclosed
EP-3317273-B1 INHIBITORS OF EGFR AND METHODS OF USE THEREOF DANA FARBER CANCER INST INC (US) 2021-12-29 EP disclosed
US-20210094913-A1 INHIBITORS OF EGFR AND METHODS OF USE THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-04-01 US disclosed
US-20210094913-A1 INHIBITORS OF EGFR AND METHODS OF USE THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-04-01 US disclosed
US-10836722-B2 Inhibitors of EGFR and methods of use thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-11-17 US disclosed
US-10836722-B2 Inhibitors of EGFR and methods of use thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-11-17 US disclosed
US-10385019-B2 Inhibitors of EGFR and methods of use thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-08-20 US disclosed
US-10385019-B2 Inhibitors of EGFR and methods of use thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-08-20 US disclosed
US-20180290975-A1 INHIBITORS OF EGFR AND METHODS OF USE THEREOF DANA-FARBER CANCER INSTITUTE, INC. 2018-10-11 US disclosed
WO-2017004383-A1 INHIBITORS OF EGFR AND METHODS OF USE THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-01-05 WO 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 (4 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-20210094913-A1 INHIBITORS OF EGFR AND METHODS OF USE THEREOF EGFR, ERBB2, ERBB3 THRB 658/4885ALOX15 3841/4885KDM4E 4495/4885
US-20180290975-A1 INHIBITORS OF EGFR AND METHODS OF USE THEREOF EGFR, ERBB2, ERBB3 THRB 658/4885ALOX15 3841/4885KDM4E 4495/4885
US-10385019-B2 Inhibitors of EGFR and methods of use thereof EGFR, ERBB2, ERBB3 THRB 658/4885ALOX15 3841/4885KDM4E 4495/4885
US-10836722-B2 Inhibitors of EGFR and methods of use thereof EGFR, ERBB2, ERBB3 THRB 658/4885ALOX15 3841/4885KDM4E 4495/4885

“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.