SCHEMBL15090553

SCHEMBL15090553

O=C(C=CCBr)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CC2CCC1O2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 20/20 0.62
▸ ERBB2 P04626 10/20 0.61
▸ ERBB4 Q15303 5/20 0.61
▸ GAK O14976 3/20 0.61
▸ LCK P06239 3/20 0.61
▸ RIPK2 O43353 2/20 0.61
▸ SRC P12931 2/20 0.61
▸ MC3R P41968 2/20 0.61
▸ SLC6A3 Q01959 2/20 0.61
▸ KCNH2 Q12809 2/20 0.61
▸ ABL1 P00519 2/20 0.61
▸ MET P08581 2/20 0.61
▸ PHKG2 P15735 2/20 0.61
▸ BLK P51451 2/20 0.61
▸ IRAK1 P51617 2/20 0.61
▸ DYRK1A Q13627 2/20 0.61
▸ HIPK4 Q8NE63 2/20 0.61
▸ EPHA6 Q9UF33 2/20 0.61
▸ CIT O14578 1/20 0.61
▸ EPHB6 O15197 1/20 0.61

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
SCHEMBL15090550 1.00 EGFR (0.62) EGFRERBB2ERBB4GAKLCK
SCHEMBL15104687 0.91 EGFR (0.67) EGFRERBB2ERBB4GAKLCK
SCHEMBL15090638 0.91 EGFR (0.67) EGFRERBB2ERBB4GAKLCK
SCHEMBL15090695 0.90 EGFR (0.75) EGFRERBB2ERBB4GAKLCK
SCHEMBL255880 0.90 EGFR (0.75) EGFRERBB2ERBB4GAKLCK
SCHEMBL16398950 0.84 EGFR (0.83) EGFRERBB2ERBB4GAKLCK
SCHEMBL16398947 0.84 EGFR (0.83) EGFRERBB2ERBB4GAKLCK
SCHEMBL16398949 0.84 EGFR (0.83) EGFRERBB2ERBB4GAKLCK
SCHEMBL16398952 0.84 EGFR (0.83) EGFRERBB2ERBB4GAKLCK
SCHEMBL869099 0.84 EGFR (0.79) EGFRERBB2ERBB4GAKLCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10507209-B2 Quinazoline derivatives substituted by aniline, preparation method and use thereof XUANZHU PHARMA CO, LTD. (CN) 2019-12-17 — — US disclosed
US-20170333433-A1 QUINAZOLINE DERIVATIVES SUBSTITUTED BY ANILINE, PREPARATION METHOD AND USE THEREOF XUANZHU PHARMA CO, LTD. (CN) 2017-11-23 — — US disclosed
US-20170304305-A1 QUINAZOLINE DERIVATIVES SUBSTITUTED BY ANILINE, PREPARATION METHOD AND USE THEREOF XUANZHU PHARMA CO LTD (CN) 2017-10-26 — — US disclosed
US-9730934-B2 Quinazoline derivatives substituted by aniline, preparation method and use thereof Xuanzhu Pharma Co., Ltd. (CN) 2017-08-15 — — US disclosed
EP-2612860-B1 QUINAZOLINE DERIVATIVES SUBSTITUTED BY ANILINE, PREPARATION METHOD AND USE THEREOF XUANZHU PHARMA CO LTD (CN) 2017-03-15 — — EP disclosed
US-20130184297-A1 QUINAZOLINE DERIVATIVES SUBSTITUTED BY ANILINE, PREPARATION METHOD AND USE THEREOF Xuanzhu Pharma Co., Ltd. (CN) 2013-07-18 — — US disclosed
EP-2612860-A1 QUINAZOLINE DERIVATIVES SUBSTITUTED BY ANILINE, PREPARATION METHOD AND USE THEREOF Xuanzhu Pharma Co., Ltd. (CN) 2013-07-10 — — 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 (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-20170304305-A1 QUINAZOLINE DERIVATIVES SUBSTITUTED BY ANILINE, PREPARATION METHOD AND USE THEREOF NQO2, CHRM1, CHRM2 EGFR 983/4885ERBB2 1417/4885ERBB4 1431/4885
US-20170333433-A1 QUINAZOLINE DERIVATIVES SUBSTITUTED BY ANILINE, PREPARATION METHOD AND USE THEREOF NQO2, CHRM1, CHRM2 EGFR 983/4885ERBB2 1417/4885ERBB4 1431/4885
US-10507209-B2 Quinazoline derivatives substituted by aniline, preparation method and use thereof NQO2, CHRM1, CHRM2 EGFR 983/4885ERBB2 1417/4885ERBB4 1431/4885
US-20130184297-A1 QUINAZOLINE DERIVATIVES SUBSTITUTED BY ANILINE, PREPARATION METHOD AND USE THEREOF NQO2, CHRM1, CHRM2 EGFR 983/4885ERBB2 1417/4885ERBB4 1431/4885

“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.

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