SCHEMBL276986

SCHEMBL276986

[O]c1ncnc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 1/20 0.56
PI4K2B Q8TCG2 1/20 0.56
PI4K2A Q9BTU6 1/20 0.56
PI4KB Q9UBF8 1/20 0.56
PDE4A P27815 1/20 0.56
PDE4B Q07343 1/20 0.56
PDE4C Q08493 1/20 0.56
PDE4D Q08499 1/20 0.56
ADORA2A P29274 2/20 0.52
EGFR P00533 3/20 0.47
ABCG2 Q9UNQ0 2/20 0.47
DAPK3 O43293 1/20 0.47
MAP4K4 O95819 1/20 0.47
ABL1 P00519 1/20 0.47
ERBB2 P04626 1/20 0.47
PIM1 P11309 1/20 0.47
PRKACA P17612 1/20 0.47
LTK P29376 1/20 0.47
MAPK8 P45983 1/20 0.47
CSNK1A1 P48729 1/20 0.47

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
SCHEMBL28585869 0.76 PI4KA (0.56) PI4KAPI4K2BPI4K2API4KBPDE4A
SCHEMBL3075421 0.75 ADORA2A (0.75) PI4KAPI4K2BPI4K2API4KBPDE4A
SCHEMBL2010225 0.71 PI4KA (0.56) PI4KAPI4K2BPI4K2API4KBPDE4A
SCHEMBL3992023 0.71 PI4KA (0.56) PI4KAPI4K2BPI4K2API4KBPDE4A
SCHEMBL637551 0.71 PI4KA (0.56) PI4KAPI4K2BPI4K2API4KBPDE4A
4-Aminoquinazoline SCHEMBL142513 0.71 PI4KA (1.00) PI4KAPI4K2BPI4K2API4KBPDE4A
SCHEMBL25620 0.71 PDE4A (1.00) PI4KAPI4K2BPI4K2API4KBPDE4A
SCHEMBL11821044 0.71 PI4KA (0.56) PI4KAPI4K2BPI4K2API4KBPDE4A
SCHEMBL637552 0.71 PI4KA (0.56) PI4KAPI4K2BPI4K2API4KBPDE4A
SCHEMBL3951708 0.71 PI4KA (0.56) PI4KAPI4K2BPI4K2API4KBPDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1304325-A1 5-(M-CYANOBENZYLAMINO)PYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-04-23 EP claimed
CN-104045552-B Medicinal compound as neuroprotective agent 江苏先声药业有限公司 2019-06-11 CN disclosed
CN-109134451-A 1,3- 2-substituted carbamide class and thiourea derivatives and its application 遵义医学院 2019-01-04 CN disclosed
US-9115341-B2 Method for expanding hematopoietic stem cells using heterocyclic compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2015-08-25 US disclosed
EP-1636192-B9 3-ALKYLIDENEHYDRAZINO SUBSTITUTED HETEROARYL COMPOUNDS AS THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL IND LTD (JP) 2015-07-01 EP disclosed
US-8969587-B2 RAF kinase modulator compounds and methods of use thereof AMBIT BIOSCIENCES CORPORATION (US) 2015-03-03 US disclosed
CN-104045552-A Medicinal compound as neuroprotective agent SHANGHAI SIMCERE PHARMACEUTICAL RES CO LTD 2014-09-17 CN disclosed
US-20140051857-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES LIMITED (JP) 2014-02-20 US disclosed
US-20140045868-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2014-02-13 US disclosed
EP-1636192-B1 3-ALKYLIDENEHYDRAZINO SUBSTITUTED HETEROARYL COMPOUNDS AS THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL IND LTD (JP) 2014-01-15 EP disclosed
US-20080027068-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES LIMITED (JP) 2008-01-31 US disclosed
EP-1845090-A1 AMIDE COMPOUND AND THROMBOPOIETIN RECEPTOR ACTIVATOR Nissan Chemical Industries, Ltd. (JP) 2007-10-17 EP disclosed
WO-2007099317-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2007-09-07 WO disclosed
EP-1819692-A1 3-ETHYLIDENEHYDRAZINO SUBSTITUTED HETEROCYCLIC COMPOUNDS AS THROMBOPOIETIN RECEPTOR ACTIVATORS Nissan Chemical Industries, Ltd. (JP) 2007-08-22 EP disclosed
CN-1798739-A 3-alkylidenehydrazino substituted heteroaryl compounds as thrombopoietin receptor activators NISSAN CHEMICAL IND LTD (JP) 2006-07-05 CN disclosed
WO-2006062240-A1 3-ETHYLIDENEHYDRAZINO SUBSTITUTED HETEROCYCLIC COMPOUNDS AS THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2006-06-15 WO disclosed
US-20060094694-A1 Heterocyclic compounds and thrombopoietin receptor activators NISSAN CHEMICAL INDUSTRIES LIMITED (JP) 2006-05-04 US disclosed
EP-1636192-A1 3-ALKYLIDENEHYDRAZINO SUBSTITUTED HETEROARYL COMPOUNDS AS THROMBOPOIETIN RECEPTOR ACTIVATORS Nissan Chemical Industries, Ltd. (JP) 2006-03-22 EP disclosed
WO-2004108683-A1 3-ALKYLIDENEHYDRAZINO SUBSTITUTED HETEROARYL COMPOUNDS AS THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2004-12-16 WO disclosed
EP-1304325-A1 5-(M-CYANOBENZYLAMINO)PYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-04-23 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 (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-20060094694-A1 Heterocyclic compounds and thrombopoietin receptor activators NR2C2, ROR1, NR0B2 PI4KA 3790/4885PI4K2B 3330/4885PI4K2A 3765/4885
US-20080027068-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NR2C2, ROR1, NR0B2 PI4KA 3796/4885PI4K2B 3275/4885PI4K2A 3744/4885
US-20140051857-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NR2C2, ROR1, NR0B2 PI4KA 3784/4885PI4K2B 3246/4885PI4K2A 3719/4885
US-20140045868-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF PI4KA 94/4885PI4K2B 151/4885PI4K2A 172/4885

“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.