SCHEMBL1011012

SCHEMBL1011012

CCOc1cc2nc[nH]c(=O)c2cc1OCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 9/20 0.50
CHEK1 O14757 2/20 0.50
PIM1 P11309 2/20 0.50
RPS6KA3 P51812 1/20 0.50
IP6K1 Q92551 3/20 0.46
ALDH1A1 P00352 1/20 0.46
AKT1 P31749 1/20 0.46
FLT3 P36888 1/20 0.46
PIM3 Q86V86 1/20 0.46
SRC P12931 1/20 0.46
MKNK1 Q9BUB5 1/20 0.45
SLC2A1 P11166 1/20 0.45
ENPP1 P22413 1/20 0.44
PDPK1 O15530 1/20 0.43
CA12 O43570 1/20 0.43
ALOX15 P16050 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CA9 Q16790 1/20 0.43
TNKS2 Q9H2K2 1/20 0.43
IP6K3 Q96PC2 1/20 0.43

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
SCHEMBL1014333 0.94 SRC (0.55) PARP1CHEK1PIM1RPS6KA3IP6K1
SCHEMBL1012421 0.94 SRC (0.55) PARP1CHEK1PIM1RPS6KA3IP6K1
SCHEMBL7088493 0.90 PARP1 (0.42) PARP1CHEK1PIM1RPS6KA3IP6K1
SCHEMBL18655504 0.89 PARP1 (0.50) PARP1CHEK1PIM1RPS6KA3IP6K1
SCHEMBL13090419 0.89 PARP1 (0.50) PARP1CHEK1PIM1RPS6KA3IP6K1
SCHEMBL3231833 0.89 SLC2A1 (0.47) PARP1CHEK1PIM1RPS6KA3IP6K1
SCHEMBL4490582 0.88 PARP1 (0.49) PARP1CHEK1PIM1RPS6KA3IP6K1
SCHEMBL31352893 0.88 IP6K1 (0.50) PARP1CHEK1PIM1RPS6KA3IP6K1
SCHEMBL3240833 0.88 PARP1 (0.49) PARP1CHEK1PIM1RPS6KA3IP6K1
SCHEMBL26112580 0.88 IP6K1 (0.50) PARP1CHEK1PIM1RPS6KA3IP6K1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10053430-B2 RAF kinase modulator compounds and methods of use thereof AMBIT BIOSCIENCES CORP. (US) 2018-08-21 US disclosed
EP-2268623-B9 QUINAZOLINE DERIVATIVES AS RAF KINASE MODULATORS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORP (US) 2018-02-28 EP disclosed
US-20170298029-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2017-10-19 US disclosed
US-9730937-B2 RAF kinase modulator compounds and methods of use thereof AMBIT BIOSCIENCES CORPORATION (US) 2017-08-15 US disclosed
EP-3147281-A1 QUINAZOLINE DERIVATIVES AS RAF KINASE MODULATORS AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2017-03-29 EP disclosed
EP-3103799-A1 QUINAZOLINE DERIVATIVES OSI Pharmaceuticals, LLC (US) 2016-12-14 EP disclosed
CN-106146484-A Quinazoline derivant is as RAF kinase modulator and their method and purposes 埃姆比特生物科学公司 2016-11-23 CN disclosed
US-20160199375-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORP. 2016-07-14 US disclosed
CN-102026985-B Quinazoline derivatives as RAF kinase modulators and methods and uses thereof 埃姆比特生物科学公司 2016-07-06 CN disclosed
EP-2163546-B1 Quinazoline derivatives PFIZER PROD INC (US) 2016-06-01 EP disclosed
US-20040116422-A1 Quinazoline derivatives MITSUBISHI PHARMA CORPORATION (JP) 2004-06-17 US disclosed
EP-1369418-A1 QUINAZOLINE DERIVATIVES Mitsubishi Pharma Corporation (JP) 2003-12-10 EP disclosed
US-20030144308-A1 Fructose 1,6-bisphosphatase inhibitors BAUER PAUL H (US) 2003-07-31 US disclosed
EP-0817775-B1 QUINAZOLINE DERIVATIVES PFIZER (US) 2001-09-12 EP disclosed
EP-1110953-A1 Quinazoline derivatives PFIZER INC. (US) 2001-06-27 EP disclosed
CN-1066142-C Quinazoline derivatives PFIZER (US) 2001-05-23 CN disclosed
US-5747498-A Alkynyl and azido-substituted 4-anilinoquinazolines PFIZER INC. (US) 1998-05-05 US disclosed
EP-0817775-A1 QUINAZOLINE DERIVATIVES PFIZER INC. (US) 1998-01-14 EP disclosed
CN-1137037-A Quinazoline derivatives PFIZER (US) 1996-12-04 CN disclosed
WO-1996030347-A1 QUINAZOLINE DERIVATIVES PFIZER INC. (US) 1996-10-03 WO 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-10053430-B2 RAF kinase modulator compounds and methods of use thereof BRAF, RAF1, ARAF PARP1 2868/4885CHEK1 86/4885PIM1 729/4885
US-20160199375-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF PARP1 2868/4885CHEK1 86/4885PIM1 729/4885
US-20170298029-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF PARP1 2868/4885CHEK1 86/4885PIM1 729/4885
US-20030144308-A1 Fructose 1,6-bisphosphatase inhibitors FBP1, HK1, G6PC1 PARP1 1096/4885CHEK1 2084/4885PIM1 1487/4885

“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.