SCHEMBL15219375

SCHEMBL15219375

Cc1ncnc2c1NCCN2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.39
CHEK1 O14757 1/20 0.39
DAPK3 O43293 1/20 0.39
PRKD3 O94806 1/20 0.39
MAP4K4 O95819 1/20 0.39
CSF1R P07333 1/20 0.39
RET P07949 1/20 0.39
FGFR1 P11362 1/20 0.39
FLT1 P17948 1/20 0.39
LTK P29376 1/20 0.39
GRK5 P34947 1/20 0.39
CSNK1A1 P48729 1/20 0.39
CDK8 P49336 1/20 0.39
CDK7 P50613 1/20 0.39
RPS6KA3 P51812 1/20 0.39
LIMK1 P53667 1/20 0.39
CDK5 Q00535 1/20 0.39
TYRO3 Q06418 1/20 0.39
LRRK2 Q5S007 1/20 0.39
AURKB Q96GD4 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
SCHEMBL9413252 0.74 KDR (0.56) KDRCHEK1DAPK3PRKD3MAP4K4
SCHEMBL21709620 0.74 CHEK1 (0.36) KDRCHEK1DAPK3PRKD3MAP4K4
SCHEMBL795294 0.72 DRD1 (0.49) KDRCHEK1DAPK3PRKD3MAP4K4
SCHEMBL30159359 0.72 DRD1 (0.49) KDRCHEK1DAPK3PRKD3MAP4K4
SCHEMBL17041864 0.72 AKT1S1 (0.42) KDRCHEK1DAPK3PRKD3MAP4K4
SCHEMBL5635227 0.69 UHRF1 (0.49) KDRCHEK1DAPK3PRKD3MAP4K4
SCHEMBL23085803 0.69 CHEK1 (0.33) KDRCHEK1DAPK3PRKD3MAP4K4
SCHEMBL1368910 0.65 NNMT (0.35) NNMT
SCHEMBL22679489 0.65 ADRA2A (0.42)
SCHEMBL3088390 0.64 KDM4E (0.34) KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170218000-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. 2017-08-03 US disclosed
US-9273077-B2 Phosphorus derivatives as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2016-03-01 US disclosed
US-20150225436-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2015-08-13 US disclosed
US-9012462-B2 Phosphorous derivatives as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2015-04-21 US disclosed
US-8912330-B2 Azaindole derivatives as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2014-12-16 US disclosed
US-20140364423-A1 Pyrazinopyrazines and Derivatives as Kinase Inhibitors ARIAD PHARMACEUTICALS, INC. 2014-12-11 US disclosed
US-8846664-B2 Pyrazinopyrazines and derivatives as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2014-09-30 US disclosed
US-20140066406-A1 Phosphorus Derivatives as Kinase Inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2014-03-06 US disclosed
US-20130225527-A1 Phosphorus Derivatives as Kinase Inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2013-08-29 US disclosed
US-20130225528-A1 Phosphorus Derivatives as Kinase Inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2013-08-29 US disclosed
US-20110294806-A1 AZAINDOLE DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2011-12-01 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 (7 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-20140066406-A1 Phosphorus Derivatives as Kinase Inhibitors PHKA1, PIK3CA, PHKA2 KDR 662/4885CHEK1 349/4885DAPK3 401/4885
US-20170218000-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 KDR 543/4885CHEK1 242/4885DAPK3 312/4885
US-20150225436-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 KDR 504/4885CHEK1 275/4885DAPK3 302/4885
US-20140364423-A1 Pyrazinopyrazines and Derivatives as Kinase Inhibitors MAP3K5, MAP3K15, MAP4K2 KDR 1029/4885CHEK1 281/4885DAPK3 133/4885
US-20110294806-A1 AZAINDOLE DERIVATIVES AS KINASE INHIBITORS ABL1, CDKN1A, MAP3K13 KDR 615/4885CHEK1 199/4885DAPK3 163/4885
US-20130225527-A1 Phosphorus Derivatives as Kinase Inhibitors PHKA1, PIK3CA, PHKA2 KDR 662/4885CHEK1 349/4885DAPK3 401/4885
US-20130225528-A1 Phosphorus Derivatives as Kinase Inhibitors PHKA1, PIK3CA, PHKA2 KDR 662/4885CHEK1 349/4885DAPK3 401/4885

“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.