SCHEMBL15090473

SCHEMBL15090473

C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCC[C@H]1[C@H]2CN(C)C[C@@H]12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 20/20 1.00
▸ ERBB3 P21860 3/20 0.71
▸ DUS2 Q9NX74 1/20 0.71
▸ KDR P35968 2/20 0.70
▸ ERBB2 P04626 6/20 0.69
▸ KIT P10721 2/20 0.69
▸ SRC P12931 2/20 0.69
▸ ERBB4 Q15303 2/20 0.69
▸ BMPR1B O00238 1/20 0.69
▸ CIT O14578 1/20 0.69
▸ MAP2K7 O14733 1/20 0.69
▸ GAK O14976 1/20 0.69
▸ EPHB6 O15197 1/20 0.69
▸ MAP3K7 O43318 1/20 0.69
▸ RIPK2 O43353 1/20 0.69
▸ STK17B O94768 1/20 0.69
▸ STK10 O94804 1/20 0.69
▸ ABL1 P00519 1/20 0.69
▸ LCK P06239 1/20 0.69
▸ FYN P06241 1/20 0.69

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
SCHEMBL15104577 1.00 EGFR (1.00) EGFRERBB3DUS2KDRERBB2
SCHEMBL15104579 1.00 EGFR (1.00) EGFRERBB3DUS2KDRERBB2
SCHEMBL15090616 0.93 EGFR (1.00) EGFRERBB3DUS2KDRERBB2
SCHEMBL10029549 0.92 EGFR (0.85) EGFRERBB2ERBB4
SCHEMBL18633090 0.92 EGFR (0.85) EGFRERBB2ERBB4
SCHEMBL15105075 0.92 EGFR (0.85) EGFRERBB2ERBB4
SCHEMBL15090806 0.92 EGFR (0.85) EGFRERBB2ERBB4
SCHEMBL15112830 0.91 EGFR (0.83) EGFRERBB2SRCERBB4GAK
SCHEMBL15112797 0.89 EGFR (0.80) EGFRERBB3ERBB2SRCERBB4
SCHEMBL18862771 0.88 EGFR (0.78) EGFRERBB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9730934-B2 Quinazoline derivatives substituted by aniline, preparation method and use thereof Xuanzhu Pharma Co., Ltd. (CN) 2017-08-15 — — US claimed
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 983/4885ERBB3 1406/4885DUS2 1789/4885
US-20170333433-A1 QUINAZOLINE DERIVATIVES SUBSTITUTED BY ANILINE, PREPARATION METHOD AND USE THEREOF NQO2, CHRM1, CHRM2 EGFR 983/4885ERBB3 1406/4885DUS2 1789/4885
US-10507209-B2 Quinazoline derivatives substituted by aniline, preparation method and use thereof NQO2, CHRM1, CHRM2 EGFR 983/4885ERBB3 1406/4885DUS2 1789/4885
US-20130184297-A1 QUINAZOLINE DERIVATIVES SUBSTITUTED BY ANILINE, PREPARATION METHOD AND USE THEREOF NQO2, CHRM1, CHRM2 EGFR 983/4885ERBB3 1406/4885DUS2 1789/4885

“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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