Sugi Predict

Sugi Predict / Compounds / SCHEMBL216176

SCHEMBL216176

SCHEMBL216176

O=c1[nH]cnc2ccc(I)cc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 8/20 1.00
▸ CHEK1 O14757 1/20 0.64
▸ PIM1 P11309 1/20 0.64
▸ AKT1 P31749 1/20 0.64
▸ FLT3 P36888 1/20 0.64
▸ PIM3 Q86V86 1/20 0.64
▸ IP6K1 Q92551 8/20 0.58
▸ SLC2A1 P11166 1/20 0.57
▸ PDPK1 O15530 1/20 0.56
▸ CA12 O43570 1/20 0.56
▸ ALOX15 P16050 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ CA9 Q16790 1/20 0.56
▸ TNKS2 Q9H2K2 1/20 0.56
▸ IP6K3 Q96PC2 5/20 0.54
▸ IP6K2 Q9UHH9 3/20 0.54
▸ ACVR1 Q04771 1/20 0.53
▸ ALDH1A1 P00352 1/20 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
SCHEMBL29701199 1.00 PARP1 (1.00) PARP1CHEK1PIM1AKT1FLT3
SCHEMBL8522252 0.87 PARP1 (0.75) PARP1CHEK1PIM1AKT1FLT3
SCHEMBL144026 0.85 PARP1 (0.74) PARP1CHEK1PIM1AKT1FLT3
SCHEMBL8622180 0.81 ACVR1 (0.73) PARP1CHEK1PIM1AKT1FLT3
SCHEMBL642178 0.78 PARP1 (1.00) PARP1CHEK1PIM1AKT1FLT3
SCHEMBL2191067 0.78 PARP1 (1.00) PARP1CHEK1PIM1AKT1FLT3
SCHEMBL2081677 0.78 PARP1 (1.00) PARP1CHEK1PIM1AKT1FLT3
SCHEMBL29709603 0.78 PARP1 (1.00) PARP1CHEK1PIM1AKT1FLT3
SCHEMBL30110907 0.78 PARP1 (0.64) PARP1CHEK1PIM1AKT1FLT3
SCHEMBL29784205 0.78 PARP1 (1.00) PARP1CHEK1PIM1AKT1FLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111072576-A Preparation method of lapatinib key intermediate 南京奇可药业有限公司 2020-04-28 — — CN claimed
CN-102321076-B Preparation method of lapatinib intermediate and analogues thereof USTC UNIV SCIENCE TECH CN 2013-08-21 — — CN claimed
CN-102321076-A The preparation method of lapatinibditosylate midbody and analogue thereof USTC UNIV SCIENCE TECH CN 2012-01-18 — — CN claimed
US-20230348456-A1 QUINAZOLINONES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND METHODS OF USING THE SAME REPARE THERAPEUTICS INC. (CA) 2023-11-02 — — US disclosed
US-20230348456-A1 QUINAZOLINONES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND METHODS OF USING THE SAME REPARE THERAPEUTICS INC. (CA) 2023-11-02 — — US disclosed
US-20230348456-A1 QUINAZOLINONES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND METHODS OF USING THE SAME REPARE THERAPEUTICS INC. (CA) 2023-11-02 — — US disclosed
CN-116239594-B 6- (imidazo [1,2-a ] pyridin-6-yl) quinazoline derivatives and uses thereof 贵州省中国科学院天然产物化学重点实验室(贵州医科大学天然产物化学重点实验室) 2023-09-22 — — CN disclosed
CN-116239594-A 6- (imidazo [1,2-a ] pyridin-6-yl) quinazoline derivatives and uses thereof 贵州省中国科学院天然产物化学重点实验室(贵州医科大学天然产物化学重点实验室) 2023-06-09 — — CN disclosed
WO-2022233253-A1 METHOD FOR PREPARING NEW 4(3H)-QUINAZOLINONE ANALOG, STRUCTURAL COMPOSITION THEREOF, AND USE THEREOF IN ANTITUMOR DRUGS 杭州星鳌生物科技有限公司 2022-11-10 — — WO disclosed
CN-111072576-A Preparation method of lapatinib key intermediate 南京奇可药业有限公司 2020-04-28 — — CN disclosed
CN-105801565-B Preparation method of N- [ 3-chloro-4- [ (3-fluorophenyl) methoxy ] phenyl ] -6- [ (5-formyl) furan-2-yl ] -4-quinazolinamine 天津法莫西医药科技有限公司 2020-04-03 — — CN disclosed
US-6391874-B1 ANTICARCINOGENIC AGENTS; SKIN DISORDERS SMITHKLINE BEECHAM CORPORATION 2002-05-21 — — US disclosed
CN-1333758-A Substituted bicyclic derivatives useful as anticancer agents PFIZER PROD INC (US) 2002-01-30 — — CN disclosed
US-20010034351-A1 Substituted bicyclic derivatives useful as anticancer agents KATH JOHN CHARLES (US) 2001-10-25 — — US disclosed
EP-1147093-A1 SUBSTITUTED BICYCLIC DERIVATIVES USEFUL AS ANTICANCER AGENTS Pfizer Products Inc. (US) 2001-10-24 — — EP disclosed
US-6284764-B1 ANTIPROLIFERATIVE AGENT PFIZER INC. 2001-09-04 — — US disclosed
US-6225318-B1 4-aminoquinazolone derivatives PFIZER INC 2001-05-01 — — US disclosed
EP-1029853-A1 Heteroaromatic bicyclic derivatives useful as anticancer agents Pfizer Products Inc. (US) 2000-08-23 — — EP disclosed
WO-2000044728-A1 SUBSTITUTED BICYCLIC DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER PRODUCTS INC. (US) 2000-08-03 — — WO disclosed
EP-0837063-A1 4-Aminoquinazoline derivatives PFIZER INC. (US) 1998-04-22 — — 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 (2 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-20010034351-A1 Substituted bicyclic derivatives useful as anticancer agents CCNA1, MCL1, RCC1 PARP1 325/4885CHEK1 454/4885PIM1 1314/4885
US-20230348456-A1 QUINAZOLINONES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND METHODS OF USING THE SAME CSNK1A1, CSNK1G1, CSNK1G3 PARP1 3479/4885CHEK1 63/4885PIM1 1086/4885

“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.