SCHEMBL17498519

SCHEMBL17498519

COCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCBr

nearest known ligand 0.83

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 18/20 0.83
▸ ERBB2 P04626 12/20 0.77
▸ HDAC3 O15379 2/20 0.69
▸ HDAC4 P56524 2/20 0.69
▸ HDAC1 Q13547 2/20 0.69
▸ HDAC7 Q8WUI4 2/20 0.69
▸ HDAC2 Q92769 2/20 0.69
▸ HDAC10 Q969S8 2/20 0.69
▸ HDAC11 Q96DB2 2/20 0.69
▸ HDAC8 Q9BY41 2/20 0.69
▸ HDAC6 Q9UBN7 2/20 0.69
▸ HDAC9 Q9UKV0 2/20 0.69
▸ HDAC5 Q9UQL6 2/20 0.69
▸ JAK3 P52333 1/20 0.68
▸ ERBB4 Q15303 1/20 0.68

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
SCHEMBL16405547 1.00 EGFR (0.83) EGFRERBB2HDAC3HDAC4HDAC1
SCHEMBL29731545 0.92 EGFR (0.79) EGFRERBB2JAK3ERBB4
SCHEMBL869098 0.92 EGFR (0.79) EGFRERBB2JAK3ERBB4
SCHEMBL869099 0.92 EGFR (0.79) EGFRERBB2JAK3ERBB4
SCHEMBL21761366 0.92 EGFR (0.84) EGFRERBB2JAK3ERBB4
SCHEMBL16398696 0.91 EGFR (0.79) EGFRERBB2JAK3ERBB4
SCHEMBL16398699 0.91 EGFR (0.79) EGFRERBB2JAK3ERBB4
SCHEMBL19124184 0.91 EGFR (0.73) EGFRERBB2JAK3ERBB4
SCHEMBL19480001 0.89 EGFR (0.83) EGFRERBB2HDAC3HDAC4HDAC1
SCHEMBL26916650 0.89 EGFR (0.68) EGFRERBB2JAK3ERBB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10053449-B2 Quinazoline derivatives, compositions thereof, and use as pharmaceuticals SHANGHAI FOCHON PHARMACEUTICAL CO., LTD. (CN) 2018-08-21 — — US disclosed
US-20170267663-A1 QUINAZOLINE DERIVATIVES, COMPOSITIONS THEREOF, AND USE AS PHARMACEUTICALS FOCHON PHARMACEUTICALS, LTD. (CN) 2017-09-21 — — US disclosed
US-9714235-B2 Quinazoline derivatives, compositions thereof, and use as pharmaceuticals SHANGHAI FOCHON PHARMACEUTICAL CO., LTD. (CN) 2017-07-25 — — US disclosed
US-9556191-B2 Aminoquinazoline derivatives and their salts and methods of use thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-01-31 — — US disclosed
US-20160168129-A1 QUINAZOLINE DERIVATIVES, COMPOSITIONS THEREOF, AND USE AS PHARMACEUTICALS SHANGHAI FOCHON PHARMACEUTICAL CO LTD (CN) 2016-06-16 — — US disclosed
US-20160039838-A1 AMINOQUINAZOLINE DERIVATIVES AND THEIR SALTS AND METHODS OF USE THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2016-02-11 — — US 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-20170267663-A1 QUINAZOLINE DERIVATIVES, COMPOSITIONS THEREOF, AND USE AS PHARMACEUTICALS ABL1, MAP4K2, DMPK EGFR 2069/4885ERBB2 489/4885HDAC3 1411/4885
US-20160039838-A1 AMINOQUINAZOLINE DERIVATIVES AND THEIR SALTS AND METHODS OF USE THEREOF WNK1, ABL1, NEK4 EGFR 1223/4885ERBB2 368/4885HDAC3 2775/4885
US-20160168129-A1 QUINAZOLINE DERIVATIVES, COMPOSITIONS THEREOF, AND USE AS PHARMACEUTICALS ABL1, MAP4K2, DMPK EGFR 2069/4885ERBB2 489/4885HDAC3 1411/4885
US-10053449-B2 Quinazoline derivatives, compositions thereof, and use as pharmaceuticals ABL1, MAP4K2, DMPK EGFR 2069/4885ERBB2 489/4885HDAC3 1411/4885

“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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