SCHEMBL17873535

SCHEMBL17873535

Nc1nc(Cl)nc2c(Br)cc(F)cc12

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.44
▸ ACHE P22303 3/20 0.32
▸ GRIN1 Q05586 3/20 0.32
▸ GRIN2A Q12879 3/20 0.32
▸ BCHE P06276 2/20 0.32
▸ PDE8A O60658 1/20 0.31
▸ CDK1 P06493 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30

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
SCHEMBL17884020 0.82 — —
SCHEMBL31283877 0.82 — —
SCHEMBL17884010 0.82 HTT (0.46) HTTACHEGRIN1GRIN2ABCHE
SCHEMBL22258816 0.79 NQO2 (0.30) —
SCHEMBL17873529 0.79 HTT (0.44) HTTACHEGRIN1GRIN2ABCHE
SCHEMBL31284109 0.79 NQO2 (0.30) —
SCHEMBL17873539 0.77 HTT (0.41) HTTACHEGRIN1GRIN2ABCHE
SCHEMBL25987673 0.75 HTT (0.42) HTT
SCHEMBL27301508 0.75 HTT (0.42) HTT
SCHEMBL17873521 0.73 ALDH1A1 (0.45) HTTACHECYP3A4

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 27 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
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-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
CN-111574464-A Quinazoline derivatives for the treatment of HIV 吉利德科学公司 2020-08-25 — — CN disclosed
CN-107278201-B Quinazoline derivatives for the treatment of HIV 吉利德科学公司 2020-05-19 — — CN disclosed
US-10548898-B2 Quinazoline compounds GILEAD SCIENCES INC. (US) 2020-02-04 — — 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 (6 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 HTT 383/4885ACHE 615/4885GRIN1 1555/4885
US-20160250215-A1 QUINAZOLINE COMPOUNDS TTBK1, TTBK2, MAPT HTT 383/4885ACHE 615/4885GRIN1 1555/4885
US-20200360383-A1 Quinazoline Compounds TTBK1, TTBK2, MAPT HTT 383/4885ACHE 615/4885GRIN1 1555/4885
US-20230043136-A1 Quinazoline Compounds TTBK1, TTBK2, MAPT HTT 383/4885ACHE 615/4885GRIN1 1555/4885
US-10548898-B2 Quinazoline compounds TTBK1, TTBK2, MAPT HTT 383/4885ACHE 615/4885GRIN1 1555/4885
US-20170354656-A1 Quinazoline Compounds TTBK1, TTBK2, MAPT HTT 383/4885ACHE 615/4885GRIN1 1555/4885

“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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