SCHEMBL2184445

SCHEMBL2184445

CN(C)c1ncnc2ccccc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.68
CYP1A2 P05177 11/20 0.55
CYP3A4 P08684 11/20 0.55
CLK4 Q9HAZ1 8/20 0.55
CYP2D6 P10635 8/20 0.55
ALDH1A1 P00352 8/20 0.55
MAPK1 P28482 6/20 0.55
CYP2C19 P33261 6/20 0.55
TSHR P16473 5/20 0.55
CYP2C9 P11712 3/20 0.55
LMNA P02545 6/20 0.53
HSD17B10 Q99714 2/20 0.53
MEN1 O00255 1/20 0.53
TP53 P04637 1/20 0.53
CASP1 P29466 1/20 0.53
CASP7 P55210 1/20 0.53
KMT2A Q03164 1/20 0.53
HPGD P15428 3/20 0.51
HIF1A Q16665 3/20 0.50
USP2 O75604 2/20 0.50

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
Hydrochloric Acid SCHEMBL14775621 0.98 EGFR (0.66) EGFRCYP1A2CYP3A4CLK4CYP2D6
Hydrochloric Acid SCHEMBL27318612 0.98 EGFR (0.66) EGFRCYP1A2CYP3A4CLK4CYP2D6
SCHEMBL21415554 0.81 EGFR (0.60) EGFRCYP1A2ALDH1A1CYP2C19CYP2C9
SCHEMBL3109912 0.81 EGFR (1.00) EGFR
Hydrochloric Acid SCHEMBL6182107 0.80 EGFR (0.97) EGFR
SCHEMBL28800673 0.79 EGFR (0.58) EGFRCLK4ALDH1A1LMNAPI4KA
SCHEMBL27887833 0.79 EGFR (0.57) EGFRCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL11013925 0.79 HTT (0.61) EGFRCYP1A2ALDH1A1CYP2C19CYP2C9
Hydrochloric Acid SCHEMBL8375173 0.77 HTT (0.59) EGFRALDH1A1MAPK1LMNAHSD17B10
SCHEMBL24851503 0.77 CYP1A2 (0.59) EGFRCYP1A2CYP3A4CLK4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104363908-A Pyrrolidino heterocycles HOFFMANN LA ROCHE 2015-02-18 CN claimed
CN-118900838-A Heterocyclic compounds, compositions thereof and methods of treatment thereof 百济神州有限公司 2024-11-05 CN disclosed
CN-118660880-A Quinazoline pan KRAS inhibitors 米拉蒂治疗股份有限公司 2024-09-17 CN disclosed
CN-118324767-A Diacylglycerol kinase modulating compounds 卡尔那生物科学株式会社 2024-07-12 CN disclosed
CN-117736207-A Diacylglycerol kinase modulating compounds 卡尔那生物科学株式会社 2024-03-22 CN disclosed
CN-115362003-B Diacylglycerol kinase modulating compounds 卡尔那生物科学株式会社 2024-03-22 CN disclosed
CN-117624063-A Heterocyclic compound and application thereof 中国科学院上海药物研究所 2024-03-01 CN disclosed
WO-2023133217-A1 2-(INDAZOL-5-YL)-6-(PIPERIDIN-4-YL)-1,7-NAPHTHYRIDINE DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS FOR SPLICING NUCLEIC ACIDS AND FOR THE TREATMENT OF PROLIFERATIVE DISEASES REMIX THERAPEUTICS INC. (US) 2023-07-13 WO disclosed
WO-2023121429-A1 NOVEL COMPOUND FOR IMPROVING SLEEP OR USE THEREOF 아주대학교산학협력단 2023-06-29 WO disclosed
CN-115362003-A Diacylglycerol kinase modulating compounds 卡尔那生物科学株式会社 2022-11-18 CN disclosed
US-9181277-B2 Aminoquinazoline derivatives and their salts and methods of use SUNSHINE LAKE PHARMA CO., LTD. (CN) 2015-11-10 US disclosed
CN-104693211-A Imidazole derivative as antiviral agent and pharmaceutical application thereof NANJING MINGDE NEW DRUG RES AND DEV CO LTD 2015-06-10 CN disclosed
CN-104363908-A Pyrrolidino heterocycles HOFFMANN LA ROCHE 2015-02-18 CN disclosed
US-20140228361-A1 AMINOQUINAZOLINE DERIVATIVES AND THEIR SALTS AND METHODS OF USE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2014-08-14 US disclosed
EP-2342191-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE Mitsubishi Tanabe Pharma Corporation (JP) 2011-07-13 EP disclosed
CN-101779124-A modulation of chemosensory receptors and ligands associated therewith SENOMYX INC 2010-07-14 CN disclosed
WO-2010030027-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-03-18 WO disclosed
US-4510307-A 6-Quinazolinesulfonyl derivatives and process for preparation thereof ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1985-04-09 US disclosed
EP-0046572-B1 6-QUINAZOLINESULFONYL DERIVATIVES AND PROCESS FOR PREPARATION THEREOF Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1984-10-31 EP disclosed
EP-0046572-A2 6-Quinazolinesulfonyl derivatives and process for preparation thereof Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1982-03-03 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 (1 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-20140228361-A1 AMINOQUINAZOLINE DERIVATIVES AND THEIR SALTS AND METHODS OF USE ABL1, PRKDC, JAK2 EGFR 460/4885CYP1A2 3130/4885CYP3A4 3297/4885

“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.