SCHEMBL12575879

SCHEMBL12575879

Nc1ncc2cc(-c3ccc(O)cc3)ccc2n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 6/20 0.55
KDR P35968 2/20 0.55
JAK3 P52333 2/20 0.55
MAPK14 Q16539 1/20 0.55
JAK2 O60674 1/20 0.55
JAK1 P23458 1/20 0.55
TYK2 P29597 1/20 0.55
AURKB Q96GD4 1/20 0.55
ESR2 Q92731 5/20 0.49
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
ESR1 P03372 4/20 0.46
DYRK1A Q13627 2/20 0.45
MAP4K4 O95819 1/20 0.45
CDK8 P49336 1/20 0.45
CLK2 P49760 1/20 0.45
CDK7 P50613 1/20 0.45
CDK9 P50750 1/20 0.45
CDK5 Q00535 1/20 0.45
ACVR1 Q04771 1/20 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
SCHEMBL5494272 0.86 LCK (0.58) LCKKDRJAK3MAPK14DYRK1A
SCHEMBL27957917 0.85 KDR (0.49) LCKKDRJAK3MAPK14JAK2
SCHEMBL12575968 0.85 SRC (0.61) LCKKDRJAK3MAPK14ESR2
SCHEMBL2741576 0.84 LCK (0.65) LCKKDRJAK3MAPK14ADORA2A
SCHEMBL3025007 0.83 LCK (0.55) LCKKDRJAK3MAPK14ADORA2A
Benzene SCHEMBL27889171 0.82 LCK (0.50) LCKKDRJAK3MAPK14JAK2
SCHEMBL41115 0.81 LCK (0.53) LCKKDRJAK3MAPK14JAK2
SCHEMBL5488838 0.78 MAP4K4 (0.61) LCKKDRJAK3MAPK14MAP4K4
SCHEMBL25750391 0.76 BRAF (0.63) LCKKDRJAK3MAPK14
SCHEMBL24335889 0.76 PIK3CA (0.55) LCKKDRJAK3MAPK14DYRK1A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9359349-B2 Substituted quinazolines as kinase inhibitors INTELLIKINE LLC (US) 2016-06-07 US disclosed
US-9359349-B2 Substituted quinazolines as kinase inhibitors INTELLIKINE LLC (US) 2016-06-07 US disclosed
US-20150141442-A1 CHEMICAL ENTITIES AND THERAPEUTIC USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-21 US disclosed
US-20150141442-A1 CHEMICAL ENTITIES AND THERAPEUTIC USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-21 US disclosed
US-20140350248-A1 CHEMICAL ENTITIES AND THERAPEUTIC USES THEREOF Intellikine, LLC. (US) 2014-11-27 US disclosed
US-20140350248-A1 CHEMICAL ENTITIES AND THERAPEUTIC USES THEREOF Intellikine, LLC. (US) 2014-11-27 US disclosed
US-20110160232-A1 CERTAIN CHEMICAL ENTITIES AND THERAPEUTIC USES THEREOF INTELLIKINE LLC 2011-06-30 US disclosed
US-20110160232-A1 CERTAIN CHEMICAL ENTITIES AND THERAPEUTIC USES THEREOF INTELLIKINE LLC 2011-06-30 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 (3 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-20140350248-A1 CHEMICAL ENTITIES AND THERAPEUTIC USES THEREOF PIK3CA, PIK3CB, PIK3C3 LCK 174/4885KDR 1523/4885JAK3 88/4885
US-20150141442-A1 CHEMICAL ENTITIES AND THERAPEUTIC USES THEREOF PIK3CA, PIK3CB, PIK3C3 LCK 174/4885KDR 1523/4885JAK3 88/4885
US-20110160232-A1 CERTAIN CHEMICAL ENTITIES AND THERAPEUTIC USES THEREOF PIK3CA, PIK3C3, PRKACA LCK 135/4885KDR 1244/4885JAK3 68/4885

“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.