SCHEMBL17873660

SCHEMBL17873660

C/C(C#N)=C\c1cc(C)c(Br)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 8/20 0.43
▸ ERBB2 P04626 1/20 0.43
▸ GABRA1 P14867 2/20 0.41
▸ GABRG2 P18507 2/20 0.41
▸ GABRB3 P28472 2/20 0.41
▸ PTP4A1 Q93096 1/20 0.38
▸ IGF1R P08069 1/20 0.35
▸ CISD1 Q9NZ45 1/20 0.35
▸ ALDH1A1 P00352 6/20 0.33
▸ MEN1 O00255 5/20 0.33
▸ MAPT P10636 5/20 0.33
▸ KMT2A Q03164 5/20 0.33
▸ LMNA P02545 5/20 0.33
▸ HPGD P15428 4/20 0.33
▸ RGS12 O14924 3/20 0.33
▸ CYP3A4 P08684 3/20 0.33
▸ CYP2C9 P11712 3/20 0.33
▸ ALOX15 P16050 3/20 0.33
▸ NFKB1 P19838 3/20 0.33
▸ BLM P54132 3/20 0.33

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
SCHEMBL17873661 1.00 EGFR (0.43) EGFRERBB2GABRA1GABRG2GABRB3
SCHEMBL17884073 1.00 EGFR (0.43) EGFRERBB2GABRA1GABRG2GABRB3
SCHEMBL13681565 0.84 EGFR (0.46) EGFRERBB2GABRA1GABRG2GABRB3
SCHEMBL12715617 0.81 GABRA1 (0.45) EGFRERBB2GABRA1GABRG2GABRB3
SCHEMBL12715623 0.81 GABRA1 (0.45) EGFRERBB2GABRA1GABRG2GABRB3
SCHEMBL13681521 0.78 EGFR (0.41) EGFRERBB2GABRA1GABRG2GABRB3
SCHEMBL21056104 0.78 GABRA1 (0.49) EGFRERBB2GABRA1GABRG2GABRB3
SCHEMBL21134491 0.78 GABRA1 (0.49) EGFRERBB2GABRA1GABRG2GABRB3
SCHEMBL21056103 0.78 GABRA1 (0.49) EGFRERBB2GABRA1GABRG2GABRB3
SCHEMBL14006385 0.74 EGFR (0.49) EGFRERBB2GABRA1GABRG2GABRB3

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4302830-A2 QUINAZOLINE DERIVATIVES USED TO TREAT HIV Gilead Sciences, Inc. (US) 2024-01-10 — — EP disclosed
EP-3960735-B1 QUINAZOLINE DERIVATIVES USED TO TREAT HIV GILEAD SCIENCES INC (US) 2023-09-13 — — EP disclosed
US-20230043136-A1 Quinazoline Compounds INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE AS CR, V.V.I. (CZ) 2023-02-09 — — US disclosed
US-20230043136-A1 Quinazoline Compounds INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE AS CR, V.V.I. (CZ) 2023-02-09 — — US disclosed
US-11304948-B2 Quinazoline compounds GILEAD SCIENCES, INC. (US) 2022-04-19 — — US disclosed
EP-3960735-A1 QUINAZOLINE DERIVATIVES USED TO TREAT HIV Gilead Sciences, Inc. (US) 2022-03-02 — — EP disclosed
US-20200360383-A1 Quinazoline Compounds GILEAD SCIENCES, INC. 2020-11-19 — — US disclosed
US-10548898-B2 Quinazoline compounds GILEAD SCIENCES INC. (US) 2020-02-04 — — US disclosed
EP-3521282-A1 QUINAZOLINE DERIVATIVES USED TO TREAT HIV Gilead Sciences, Inc. (US) 2019-08-07 — — EP disclosed
US-20190134035-A1 Quinazoline Compounds GILEAD SCIENCES, INC. 2019-05-09 — — US disclosed
US-20170354656-A1 Quinazoline Compounds INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE AS CR, V.V.I. (CZ) 2017-12-14 — — US disclosed
EP-3237398-A1 QUINAZOLINE DERIVATIVES USED TO TREAT HIV Gilead Sciences, Inc. (US) 2017-11-01 — — EP disclosed
US-9730936-B2 Quinazoline compounds GILEAD SCIENCES, INC. (US) 2017-08-15 — — US disclosed
US-9730936-B2 Quinazoline compounds GILEAD SCIENCES, INC. (US) 2017-08-15 — — US disclosed
US-9730936-B2 Quinazoline compounds GILEAD SCIENCES, INC. (US) 2017-08-15 — — US disclosed
US-20160250215-A1 QUINAZOLINE COMPOUNDS INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE AS CR, V.V.I. (CZ) 2016-09-01 — — US disclosed
US-20160250215-A1 QUINAZOLINE COMPOUNDS INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE AS CR, V.V.I. (CZ) 2016-09-01 — — US disclosed
US-20160250215-A1 QUINAZOLINE COMPOUNDS INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE AS CR, V.V.I. (CZ) 2016-09-01 — — US disclosed
WO-2016105564-A1 QUINAZOLINE DERIVATIVES USED TO TREAT HIV GILEAD SCIENCES, INC. (US) 2016-06-30 — — WO disclosed
WO-2016105564-A1 QUINAZOLINE DERIVATIVES USED TO TREAT HIV GILEAD SCIENCES, INC. (US) 2016-06-30 — — 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 (7 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-11304948-B2 Quinazoline compounds TTBK1, TTBK2, MAPT EGFR 4658/4885ERBB2 3989/4885GABRA1 2037/4885
US-20190134035-A1 Quinazoline Compounds TTBK1, TTBK2, MAPT EGFR 4658/4885ERBB2 3989/4885GABRA1 2037/4885
US-20160250215-A1 QUINAZOLINE COMPOUNDS TTBK1, TTBK2, MAPT EGFR 4658/4885ERBB2 3989/4885GABRA1 2037/4885
US-20200360383-A1 Quinazoline Compounds TTBK1, TTBK2, MAPT EGFR 4658/4885ERBB2 3989/4885GABRA1 2037/4885
US-20230043136-A1 Quinazoline Compounds TTBK1, TTBK2, MAPT EGFR 4658/4885ERBB2 3989/4885GABRA1 2037/4885
US-10548898-B2 Quinazoline compounds TTBK1, TTBK2, MAPT EGFR 4658/4885ERBB2 3989/4885GABRA1 2037/4885
US-20170354656-A1 Quinazoline Compounds TTBK1, TTBK2, MAPT EGFR 4658/4885ERBB2 3989/4885GABRA1 2037/4885

“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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