SCHEMBL3187182

SCHEMBL3187182

Nc1cc(CC(=O)Nc2cccc(F)c2)[nH]n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.56
▸ KMT2A Q03164 3/20 0.56
▸ KDR P35968 3/20 0.49
▸ CSF1R P07333 2/20 0.49
▸ KIT P10721 2/20 0.49
▸ LCK P06239 2/20 0.49
▸ ABL1 P00519 1/20 0.49
▸ FYN P06241 1/20 0.49
▸ LYN P07948 1/20 0.49
▸ SRC P12931 1/20 0.49
▸ FLT1 P17948 1/20 0.49
▸ FLT4 P35916 1/20 0.49
▸ FLT3 P36888 1/20 0.49
▸ BLK P51451 1/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ ROCK2 O75116 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.45
▸ AURKB Q96GD4 3/20 0.45

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
SCHEMBL29536743 1.00 MEN1 (0.56) MEN1KMT2AKDRCSF1RKIT
SCHEMBL23500689 0.87 GAA (0.54) MEN1KMT2AKDRKITFLT3
SCHEMBL19263436 0.85 KMT2A (0.56) MEN1KMT2ACSF1RFLT3SMN1; SMN2
SCHEMBL3188022 0.80 MEN1 (0.50) MEN1KMT2AKDRCSF1RKIT
SCHEMBL27983617 0.80 KMT2A (0.56) MEN1KMT2AKDRCSF1RKIT
SCHEMBL29536398 0.79 AKT1 (0.44) KDRFLT1FLT4FLT3RAB9A
Hydrochloric Acid SCHEMBL29536731 0.78 KMT2A (0.57) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL29536538 0.78 POLB (0.47) KMT2AKDRKITFLT3SMN1; SMN2
SCHEMBL23501077 0.78 POLB (0.47) KMT2AKDRKITFLT3SMN1; SMN2
SCHEMBL4291228 0.77 NPC1 (0.56) MEN1KMT2AKDRCSF1RKIT

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
CN-112939948-B Novel quinazoline-containing compound, intermediate and application thereof 苏州美诺医药科技有限公司 2022-05-17 — — CN disclosed
WO-2021115432-A1 NOVEL QUINAZOLINE-CONTAINING COMPOUND, AND INTERMEDIATE THEREOF AND USE THEREOF 苏州长禾药业股份有限公司 2021-06-17 — — WO disclosed
WO-2021115432-A1 NOVEL QUINAZOLINE-CONTAINING COMPOUND, AND INTERMEDIATE THEREOF AND USE THEREOF 苏州长禾药业股份有限公司 2021-06-17 — — WO disclosed
CN-112939948-A Novel quinazoline-containing compound, intermediate and application thereof 苏州长禾药业股份有限公司 2021-06-11 — — CN disclosed
US-9567358-B2 Methods of treatment using N-(3-fluorophenyl)-2-{3-[(7-{3-[ethyl(2-hydroxyethyl)amino]propoxy}-quinazolin-4-yl)amino]-1H-pyrazol-5-yl}acetamide ASTRAZENECA AB (SE) 2017-02-14 — — US disclosed
US-20150307534-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2015-10-29 — — US disclosed
US-9018191-B2 Phosphonoxy quinazoline derivatives and their pharmaceutical use ASTRAZENECA AB (SE) 2015-04-28 — — US disclosed
US-20140162984-A1 PHOSPHONOXY QUINAZOLINE DERIVATIVES AND THEIR PHARMACEUTICAL USE ASTRAZENECA AB (SE) 2014-06-12 — — US disclosed
WO-2013143466-A1 SUBSTITUTED PYRIMIDINE DERIVATIVE AS AURORA KINASE INHIBITOR 广东东阳光药业有限公司 (CN) 2013-10-03 — — WO disclosed
US-20120238576-A1 Triazine Derivatives and their Therapeutical Applications CALIFORNIA CAPITAL EQUITY, LLC (CA) 2012-09-20 — — US disclosed
CN-100349906-C Phosphonoxyquinazoline derivatives and pharmaceutical use thereof ASTRAZENECA AB (SE) 2007-11-21 — — CN disclosed
CN-101074227-A Phosphine acyloxy quinazoline derivatives and their medicine using ASTRAZENECA AB (SE) 2007-11-21 — — CN disclosed
EP-1847539-A1 Quinazoline derivatives AstraZeneca AB (SE) 2007-10-24 — — EP disclosed
EP-1578755-B1 PHOSPHONOOXY QUINAZOLINE DERIVATIVES AND THEIR PHARMACEUTICAL USE ASTRAZENECA AB (SE) 2007-08-22 — — EP disclosed
US-20060116357-A1 Aurora kinases inhibitors; antiproliferative agents; specially for solid and haematological tumors; 2-[[3-({4-[(5-{2-[(3-fluorophenyl)amino]-2-oxoethyl}-1H-pyrazol-3-yl)amino]-quinazolin-7-yl}oxy)propyl](ethyl)amino]ethyl dihydrogen phosphate ASTRAZENECA AB (SE) 2006-06-01 — — US disclosed
CN-1764668-A Phosphonoxyquinazoline derivatives and pharmaceutical use thereof ASTRAZENECA AB (SE) 2006-04-26 — — CN disclosed
EP-1578755-A1 PHOSPHONOOXY QUINAZOLINE DERIVATIVES AND THEIR PHARMACEUTICAL USE AstraZeneca AB (SE) 2005-09-28 — — EP disclosed
US-6916820-B1 Neurotrophic substituted pyrimidines KRENITSKY PHARMACEUTICALS, INC. (US) 2005-07-12 — — US disclosed
WO-2004058781-A1 PHOSPHONOOXY QUINAZOLINE DERIVATIVES AND THEIR PHARMACEUTICAL USE ASTRAZENECA AB (SE) 2004-07-15 — — WO disclosed
US-6583148-B1 Neurodegenerative or other neurological disorders; enhancing the effect of nerve growth factor; 2-Amino-5-(4-chlorophenoxy)-4-trans-4-hydroxycyclohexylamino) pyrimidine KRENITSKY PHARMACEUTICALS, INC. 2003-06-24 — — US 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 (4 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-20140162984-A1 PHOSPHONOXY QUINAZOLINE DERIVATIVES AND THEIR PHARMACEUTICAL USE PLK2, ABL1, CYP3A5 MEN1 1577/4885KMT2A 3116/4885KDR 2145/4885
US-20150307534-A1 CHEMICAL COMPOUNDS ABL1, NQO1, NQO2 MEN1 748/4885KMT2A 1309/4885KDR 1513/4885
US-20060116357-A1 Aurora kinases inhibitors; antiproliferative agents; specially for solid and haematological tumors; 2-[[3-({4-[(5-{2-[(3-fluorophenyl)amino]-2-oxoethyl}-1H-pyrazol-3-yl)amino]-quinazolin-7-yl}oxy)propyl](ethyl)amino]ethyl dihydrogen phosphate AURKA, AURKC, AURKB MEN1 1530/4885KMT2A 370/4885KDR 642/4885
US-20120238576-A1 Triazine Derivatives and their Therapeutical Applications SLC10A1, GLS, SLC10A2 MEN1 3798/4885KMT2A 2859/4885KDR 1898/4885

“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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