Sugi Predict

Sugi Predict / Compounds / SCHEMBL642645

SCHEMBL642645

SCHEMBL642645

O=c1[nH]cnc2cc(Cl)c([N+](=O)[O-])cc12

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 10/20 0.56
▸ IP6K1 Q92551 2/20 0.52
▸ ALDH1A1 P00352 1/20 0.50
▸ CHEK1 O14757 2/20 0.43
▸ PIM1 P11309 2/20 0.43
▸ AKT1 P31749 1/20 0.43
▸ FLT3 P36888 1/20 0.43
▸ PIM3 Q86V86 1/20 0.43
▸ RPS6KA3 P51812 1/20 0.43
▸ MKNK1 Q9BUB5 1/20 0.42
▸ EGFR P00533 1/20 0.42
▸ CA12 O43570 2/20 0.42
▸ CA9 Q16790 2/20 0.42
▸ PGK1 P00558 1/20 0.40
▸ PDPK1 O15530 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ TNKS2 Q9H2K2 1/20 0.40

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
SCHEMBL29625101 1.00 PARP1 (0.56) PARP1IP6K1ALDH1A1CHEK1PIM1
SCHEMBL2988917 0.94 PARP1 (0.56) PARP1IP6K1ALDH1A1CHEK1PIM1
SCHEMBL27748904 0.87 PARP1 (0.62) PARP1IP6K1ALDH1A1CHEK1PIM1
SCHEMBL5431530 0.82 PARP1 (0.56) PARP1IP6K1ALDH1A1CHEK1PIM1
SCHEMBL29362742 0.82 PARP1 (0.56) PARP1IP6K1ALDH1A1CHEK1PIM1
SCHEMBL7222755 0.82 PARP1 (0.56) PARP1IP6K1ALDH1A1CHEK1PIM1
SCHEMBL4371996 0.82 PARP1 (0.56) PARP1IP6K1ALDH1A1CHEK1PIM1
SCHEMBL25844 0.82 PARP1 (0.56) PARP1IP6K1ALDH1A1CHEK1PIM1
SCHEMBL30113150 0.82 PARP1 (0.56) PARP1IP6K1ALDH1A1CHEK1PIM1
SCHEMBL3246439 0.82 PARP1 (0.56) PARP1IP6K1ALDH1A1CHEK1PIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1981863-B1 PROCESS FOR PREPARING AMINOCROTONYLAMINO-SUBSTITUTED QUINAZOLINE DERIVATIVES BOEHRINGER INGELHEIM INT (DE) 2012-10-10 — — EP claimed
US-8188274-B2 Process for preparing aminocrotonylamino-substituted quinazoline derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-29 — — US claimed
US-20110207929-A1 Process for preparing aminocrotonylamino-substituted quinazoline derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-25 — — US claimed
US-20100048898-A1 Process for Synthesizing 7-Alkynyl-4- Aminoquinazolines and a Related Intermediate AVEO PHARMACEUTICALS, INC. 2010-02-25 — — US claimed
US-20090306378-A1 PROCESS FOR PREPARING AMINOCROTONYLAMINO-SUBSTITUTED QUINAZOLINE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-12-10 — — US claimed
EP-2010183-A2 PROCESSES FOR SYNTHESIZING 7-ALKYNYL-4-AMINOQUINAZOLINES AND A RELATED INTERMEDIATE Aveo Pharmaceuticals, Inc. (US) 2009-01-07 — — EP claimed
EP-1981863-A1 PROCESS FOR PREPARING AMINOCROTONYLAMINO-SUBSTITUTED QUINAZOLINE DERIVATIVES Boehringer Ingelheim International GmbH (DE) 2008-10-22 — — EP claimed
WO-2007103233-A2 PROCESSES FOR SYNTHESIZING 7-ALKYNYL-4-AMINOQUINAZOLINES AND A RELATED INTERMEDIATE AVEO PHARMACEUTICALS, INC. (US) 2007-09-13 — — WO claimed
WO-2007085638-A1 PROCESS FOR PREPARING AMINOCROTONYLAMINO-SUBSTITUTED QUINAZOLINE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-08-02 — — WO claimed
CN-116514870-A Monophosphate and preparation method and application thereof 北京民康百草医药科技有限公司 2023-08-01 — — CN disclosed
CN-113354591-B Synthesis of alkylamino quinazoline and its antineoplastic activity 广东湛江海洋医药研究院 2023-03-24 — — CN disclosed
CN-110642871-B Large Stokes displacement deep red fluorescent probe RQNA for copper ion detection and preparation method and application thereof 天津理工大学 2022-06-10 — — CN disclosed
CN-108484574-B Preparation and application of tetrahydroisoquinoline derivative 广东医科大学 2020-06-19 — — CN disclosed
CN-107674059-B Benzaheteroaromatic ring compound and preparation method and application thereof 中国药科大学 2020-04-14 — — CN disclosed
US-5457105-A anticancer use; e.g. 4-(3'-chloro-4'-fluoroanilino)-6,7-dimethoxyquinazoline (gefitinib) ZENECA LIMITED (GB) 1995-10-10 — — US disclosed
EP-0668280-A1 IMIDAZOQUINAZOLINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 1995-08-23 — — EP disclosed
WO-1995003283-A1 QUINAZOLINE DERIVATIVES AND THEIR USE AS ANTI-CANCER AGENTS ZENECA LIMITED (GB) 1995-02-02 — — WO disclosed
EP-0635507-A1 Tricyclic derivatives and their use as anti-cancer agents ZENECA LIMITED (GB) 1995-01-25 — — EP disclosed
EP-0635498-A1 Quinazoline derivatives and their use as anti-cancer agents ZENECA LIMITED (GB) 1995-01-25 — — EP disclosed
EP-0566226-A1 Quinazoline derivatives ZENECA LIMITED (GB) 1993-10-20 — — 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 (3 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-20100048898-A1 Process for Synthesizing 7-Alkynyl-4- Aminoquinazolines and a Related Intermediate CYP3A7, UGT2B7, UGT1A7 PARP1 229/4885IP6K1 1446/4885ALDH1A1 330/4885
US-20090306378-A1 PROCESS FOR PREPARING AMINOCROTONYLAMINO-SUBSTITUTED QUINAZOLINE DERIVATIVES EGFR, CNKSR1, ERBB2 PARP1 4092/4885IP6K1 1301/4885ALDH1A1 3870/4885
US-20110207929-A1 Process for preparing aminocrotonylamino-substituted quinazoline derivatives EGFR, CNKSR1, ERBB2 PARP1 4210/4885IP6K1 1924/4885ALDH1A1 3573/4885

“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.