Sugi Predict

Sugi Predict / Compounds / SCHEMBL25844

SCHEMBL25844

SCHEMBL25844

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

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 10/20 0.56
▸ IP6K1 Q92551 5/20 0.52
▸ CHEK1 O14757 2/20 0.43
▸ PIM1 P11309 2/20 0.43
▸ ALDH1A1 P00352 1/20 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
▸ IP6K3 Q96PC2 1/20 0.43
▸ MKNK1 Q9BUB5 1/20 0.42
▸ PDPK1 O15530 1/20 0.40
▸ CA12 O43570 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CA9 Q16790 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
SCHEMBL29362742 1.00 PARP1 (0.56) PARP1IP6K1CHEK1PIM1ALDH1A1
SCHEMBL27748904 0.87 PARP1 (0.62) PARP1IP6K1CHEK1PIM1ALDH1A1
SCHEMBL30113150 0.82 PARP1 (0.56) PARP1IP6K1CHEK1PIM1ALDH1A1
SCHEMBL642645 0.82 PARP1 (0.56) PARP1IP6K1CHEK1PIM1ALDH1A1
SCHEMBL3246439 0.82 PARP1 (0.56) PARP1IP6K1CHEK1PIM1ALDH1A1
SCHEMBL29625101 0.82 PARP1 (0.56) PARP1IP6K1CHEK1PIM1ALDH1A1
SCHEMBL4371996 0.82 PARP1 (0.56) PARP1IP6K1CHEK1PIM1ALDH1A1
SCHEMBL5431530 0.82 PARP1 (0.56) PARP1IP6K1CHEK1PIM1ALDH1A1
SCHEMBL7222755 0.82 PARP1 (0.56) PARP1IP6K1CHEK1PIM1ALDH1A1
SCHEMBL2427721 0.80 PARP1 (0.62) PARP1IP6K1CHEK1PIM1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10550107-B2 Process for the preparation of N-[4-[(3-chloro-4-fluoro phenyl) amino]-7-[[(3s-tetrahydro-3-furanyl]oxy]-6-quinazolinyl]-4-(dimethyl amino)-(2E)-2-butenamide (2Z)-2-butenedioate (1:2) and its polymorphs thereof MSN LABORATORIES PRIVATE LIMITED (IN) 2020-02-04 — — US claimed
US-20180297989-A1 PROCESS FOR THE PREPARATION OF N-[4-[(3-CHLORO-4-FLUORO PHENYL) AMINO]-7-[[(3s-TETRAHYDRO-3-FURANYL]OXY]-6-QUINAZOLINYL]-4-(DIMETHYL AMINO)-(2E)-2-BUTENAMIDE (2Z)-2-BUTENEDIOATE (1 :2) AND ITS POLYMORPHS THEREOF MSN LABORATORIES PRIVATE LIMITED (IN) 2018-10-18 — — US claimed
EP-1265874-A2 METHOD FOR THE SIMPLIFIED PRODUCTION OF (3-CHLORO-4-FLUORO-PHENYL)- 7-(3-MORPHOLINO-4-YL-PROPOXY)-6-NITRO-QUINAZOLINE-4-YL]-AMINE OR (3-CHLORO-4-FLUORO-PHENYL)- 7-(3-MORPHOLINO-4-YL-PROPOXY)-6-AMINO-QUINAZOLINE-4-YL]-AMINE GÖDECKE GMBH (DE) 2002-12-18 — — EP claimed
WO-2001062743-A2 METHOD FOR THE SIMPLIFIED PRODUCTION OF (3-CHLORO-4-FLUORO-PHENYL)-[7-(3-MORPHOLINO-4-YL-PROPOXY)-6-NITRO-QUINAZOLINE-4-YL]-AMINE OR (3-CHLORO-4-FLUORO-PHENYL)-[7-(3-MORPHOLINO-4-YL-PROPOXY)-6-AMINO-QUINAZOLINE-4-YL]-AMINE Gödecke GmbH (DE) 2001-08-30 — — WO claimed
EP-4506343-A1 HETEROARYL DERIVATIVE AND USE THEREOF Voronoi Inc. (KR) 2025-02-12 — — EP disclosed
US-20240383923-A1 HETEROARYL DERIVATIVE AND USE THEREOF VORONOI INC. (KR) 2024-11-21 — — US disclosed
CN-115850248-B Tinich antitumor drug compound and preparation method and application thereof 南京友怡医药科技有限公司 2024-07-02 — — CN disclosed
CN-117693505-A Heteroaryl derivative compounds and uses thereof 沃若诺伊公司 2024-03-12 — — CN disclosed
EP-4328222-A1 HETEROARYL DERIVATIVE COMPOUND AND USE THEREOF Voronoi Inc. (KR) 2024-02-28 — — EP disclosed
CN-117209436-A Preparation method of dacatinib key intermediate 江苏海洋大学 2023-12-12 — — CN disclosed
WO-2023195773-A1 HETEROARYL DERIVATIVE AND USE THEREOF 보로노이 주식회사 2023-10-12 — — WO disclosed
CN-114634453-B Quinazoline derivative preparation method and application thereof 沈阳工业大学 2023-10-10 — — CN disclosed
WO-2004069791-A2 PREPARATION OF SUBSTITUTED QUINAZOLINES WARNER-LAMBERT COMPANY LLC (US) 2004-08-19 — — WO disclosed
US-20040158065-A1 Preparation of substituted quinazolines BARTH HUBERT (DE) 2004-08-12 — — US disclosed
WO-2004064842-A1 AMIDE AND ESTER MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-08-05 — — WO disclosed
US-20040142950-A1 Amide and ester matrix metalloproteinase inhibitors BUNKER AMY MAE (US) 2004-07-22 — — US disclosed
EP-0635498-B1 Quinazoline derivatives and their use as anti-cancer agents SYNGENTA LTD (GB) 2001-04-18 — — EP disclosed
US-5475001-A Quinazoline derivatives ZENECA LIMITED (GB) 1995-12-12 — — US disclosed
WO-1995003283-A1 QUINAZOLINE DERIVATIVES AND THEIR USE AS ANTI-CANCER AGENTS ZENECA LIMITED (GB) 1995-02-02 — — WO disclosed
EP-0635498-A1 Quinazoline derivatives and their use as anti-cancer agents ZENECA LIMITED (GB) 1995-01-25 — — 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 (5 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-10550107-B2 Process for the preparation of N-[4-[(3-chloro-4-fluoro phenyl) amino]-7-[[(3s-tetrahydro-3-furanyl]oxy]-6-quinazolinyl]-4-(dimethyl amino)-(2E)-2-butenamide (2Z)-2-butenedioate (1:2) and its polymorphs thereof CYP4B1, CYP1B1, CYP2S1 PARP1 2396/4885IP6K1 4306/4885CHEK1 3495/4885
US-20180297989-A1 PROCESS FOR THE PREPARATION OF N-[4-[(3-CHLORO-4-FLUORO PHENYL) AMINO]-7-[[(3s-TETRAHYDRO-3-FURANYL]OXY]-6-QUINAZOLINYL]-4-(DIMETHYL AMINO)-(2E)-2-BUTENAMIDE (2Z)-2-BUTENEDIOATE (1 :2) AND ITS POLYMORPHS THEREOF CYP4B1, CYP1B1, CYP2S1 PARP1 2396/4885IP6K1 4306/4885CHEK1 3495/4885
US-20040158065-A1 Preparation of substituted quinazolines RAF1, CDKN1A, MAP3K1 PARP1 417/4885IP6K1 1232/4885CHEK1 36/4885
US-20040142950-A1 Amide and ester matrix metalloproteinase inhibitors MMP13, MMP11, MMP9 PARP1 441/4885IP6K1 4105/4885CHEK1 4701/4885
US-20240383923-A1 HETEROARYL DERIVATIVE AND USE THEREOF ERBB2, ERBB3, EGFR PARP1 1406/4885IP6K1 3146/4885CHEK1 979/4885

“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.