SCHEMBL15219280

SCHEMBL15219280

Cc1cc(-c2ccc[nH]2)ncn1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.45
KDR P35968 7/20 0.34
GPBAR1 Q8TDU6 1/20 0.34
ADORA2A P29274 1/20 0.33
PDGFRB P09619 1/20 0.33
PBRM1 Q86U86 1/20 0.33
P2RY6 Q15077 1/20 0.32
LARS1 Q9P2J5 1/20 0.32
AAK1 Q2M2I8 1/20 0.31
CHEK1 O14757 1/20 0.31
PARP1 P09874 1/20 0.31
PLCG1 P19174 1/20 0.31
KMO O15229 1/20 0.31

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
SCHEMBL11919036 0.77 KDM4C (0.42) KDM4CKDRGPBAR1ADORA2APDGFRB
SCHEMBL11916014 0.77 KDM4C (0.42) KDM4CKDRGPBAR1ADORA2APDGFRB
SCHEMBL11983623 0.74 CCR1 (0.57) KDM4CKDRP2RY6CHEK1
SCHEMBL7942874 0.73 KDM4C (0.40) KDM4CKDRGPBAR1ADORA2APDGFRB
SCHEMBL3422367 0.72 AAK1 (0.40) AAK1KMO
SCHEMBL863223 0.71 ADORA2A (0.42) KDM4CKDRADORA2APDGFRBPBRM1
SCHEMBL29651705 0.71 KDR (0.35) KDM4CKDRCHEK1
SCHEMBL17708555 0.70 ADORA2A (0.39) KDM4CKDRADORA2APDGFRBPBRM1
SCHEMBL23416965 0.69 CCR1 (0.58) KDM4CKDRGPBAR1P2RY6CHEK1
SCHEMBL22940779 0.69 CCR1 (0.58) KDM4CADORA2APDGFRBPARP1

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-20130225528-A1 Phosphorus Derivatives as Kinase Inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2013-08-29 US disclosed
US-20130225527-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 KDM4C 2991/4885KDR 662/4885GPBAR1 2499/4885
US-20170218000-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 KDM4C 2559/4885KDR 543/4885GPBAR1 2739/4885
US-20150225436-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 KDM4C 2495/4885KDR 504/4885GPBAR1 3034/4885
US-20140364423-A1 Pyrazinopyrazines and Derivatives as Kinase Inhibitors MAP3K5, MAP3K15, MAP4K2 KDM4C 1787/4885KDR 1029/4885GPBAR1 2634/4885
US-20110294806-A1 AZAINDOLE DERIVATIVES AS KINASE INHIBITORS ABL1, CDKN1A, MAP3K13 KDM4C 889/4885KDR 615/4885GPBAR1 2449/4885
US-20130225527-A1 Phosphorus Derivatives as Kinase Inhibitors PHKA1, PIK3CA, PHKA2 KDM4C 2991/4885KDR 662/4885GPBAR1 2499/4885
US-20130225528-A1 Phosphorus Derivatives as Kinase Inhibitors PHKA1, PIK3CA, PHKA2 KDM4C 2991/4885KDR 662/4885GPBAR1 2499/4885

“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.