SCHEMBL627855

SCHEMBL627855

Nc1cc(Oc2ccc(-c3nnc(Nc4cccc(C(F)(F)F)c4)o3)cc2)nc(N)n1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.51
PDGFRB P09619 1/20 0.49
KIT P10721 1/20 0.49
PDGFRA P16234 1/20 0.49
CDK11B P21127 1/20 0.49
FLT3 P36888 1/20 0.49
CDKL2 Q92772 1/20 0.49
KDR P35968 8/20 0.43
BRAF P15056 2/20 0.43
MAPK14 Q16539 1/20 0.43
TNNI3K Q59H18 1/20 0.43
FLT1 P17948 4/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
ADCY1 Q08828 2/20 0.41
ADCY8 P40145 1/20 0.41
KDM4E B2RXH2 1/20 0.40
RAF1 P04049 1/20 0.39
FLT4 P35916 1/20 0.39

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
SCHEMBL17658740 0.92 GSK3B (0.47) GSK3BPDGFRBKITPDGFRACDK11B
SCHEMBL12336259 0.91 GSK3B (0.45) GSK3BPDGFRBKITPDGFRACDK11B
SCHEMBL12336275 0.89 KDR (0.51) GSK3BPDGFRBKITPDGFRACDK11B
SCHEMBL626404 0.88 PDGFRB (0.65) GSK3BPDGFRBKITPDGFRACDK11B
SCHEMBL12336297 0.88 KDR (0.59) GSK3BPDGFRBKITPDGFRACDK11B
SCHEMBL3531460 0.86 GSK3B (0.46) GSK3BMAPTKDM4E
SCHEMBL12057527 0.86 NPC1 (0.47) GSK3BKDRFLT1MAPTKDM4E
SCHEMBL3534025 0.84 KDR (0.47) GSK3BKDRFLT1KDM4E
SCHEMBL3534650 0.84 GSK3B (0.45) GSK3BPDGFRBKITPDGFRACDK11B
SCHEMBL17662111 0.83 GSK3B (0.43) GSK3BPDGFRBKITPDGFRACDK11B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130266636-A1 METHODS FOR BLOCKING CELL PROLIFERATION AND TREATING DISEASES AND CONDITIONS RESPONSIVE TO CELL GROWTH INHIBITION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-10-10 US claimed
WO-2012021778-A2 METHODS FOR BLOCKING CELL PROLIFERATION AND TREATING DISEASES AND CONDITIONS RESPONSIVE TO CELL GROWTH INHIBITION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-02-16 WO claimed
EP-2550266-B1 HETEROCYCLIC COMPOUNDS USEFUL FOR KINASE INHIBITION AMITECH THERAPEUTICS SOLUTIONS INC (US) 2018-05-09 EP disclosed
US-20160096824-A1 Heterocyclic Compounds Useful for Kinase Inhibition AMITECH THERAPEUTIC SOLUTIONS, INC. 2016-04-07 US disclosed
US-20160096824-A1 Heterocyclic Compounds Useful for Kinase Inhibition AMITECH THERAPEUTIC SOLUTIONS, INC. 2016-04-07 US disclosed
US-9212151-B2 Heterocyclic compounds useful for kinase inhibition AMITECH THERAPEUTIC SOLUTIONS, INC. (US) 2015-12-15 US disclosed
US-9212151-B2 Heterocyclic compounds useful for kinase inhibition AMITECH THERAPEUTIC SOLUTIONS, INC. (US) 2015-12-15 US disclosed
US-20150158828-A1 Heterocyclic Compounds Useful for Kinase Inhibition AMITECH THERAPEUTIC SOLUTIONS, INC. 2015-06-11 US disclosed
US-20150158828-A1 Heterocyclic Compounds Useful for Kinase Inhibition AMITECH THERAPEUTIC SOLUTIONS, INC. 2015-06-11 US disclosed
US-8957216-B2 Heterocyclic compounds useful for kinase inhibition AMITECH THERAPEUTIC SOLUTIONS, INC. (US) 2015-02-17 US disclosed
US-8957216-B2 Heterocyclic compounds useful for kinase inhibition AMITECH THERAPEUTIC SOLUTIONS, INC. (US) 2015-02-17 US disclosed
US-8084618-B2 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2011-12-27 US disclosed
US-8084618-B2 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2011-12-27 US disclosed
US-20100330069-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE TARGEGEN, INC. (US) 2010-12-30 US disclosed
US-20100330069-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE TARGEGEN, INC. (US) 2010-12-30 US disclosed
US-20100330069-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE TARGEGEN, INC. (US) 2010-12-30 US disclosed
US-7652051-B2 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2010-01-26 US disclosed
US-7652051-B2 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2010-01-26 US disclosed
US-7652051-B2 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2010-01-26 US disclosed
US-20060079526-A1 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2006-04-13 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 (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-20150158828-A1 Heterocyclic Compounds Useful for Kinase Inhibition MAP4K2, MAP3K20, MAP3K19 GSK3B 581/4885PDGFRB 497/4885KIT 540/4885
US-20060079526-A1 Heterocyclic compounds and methods of use AADAC, NISCH, PAICS GSK3B 2586/4885PDGFRB 2469/4885KIT 1943/4885
US-20160096824-A1 Heterocyclic Compounds Useful for Kinase Inhibition MAP4K2, MAP3K20, MAP3K19 GSK3B 581/4885PDGFRB 497/4885KIT 540/4885
US-20100330069-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE AADAC, NISCH, PAICS GSK3B 2586/4885PDGFRB 2469/4885KIT 1943/4885
US-20130266636-A1 METHODS FOR BLOCKING CELL PROLIFERATION AND TREATING DISEASES AND CONDITIONS RESPONSIVE TO CELL GROWTH INHIBITION BRAF, BUB1B, MKI67 GSK3B 418/4885PDGFRB 1405/4885KIT 1806/4885

“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.