SCHEMBL15219273

SCHEMBL15219273

Cc1cnc(-c2ccc[nH]2)nc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 1/20 0.38
▸ HSF1 Q00613 1/20 0.35
▸ HDAC6 Q9UBN7 2/20 0.33
▸ CCR1 P32246 2/20 0.33
▸ CCR5 P51681 2/20 0.33
▸ CCR8 P51685 2/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ CDK5 Q00535 1/20 0.33
▸ CDK5R1 Q15078 1/20 0.33
▸ APLNR P35414 1/20 0.32
▸ IKBKE Q14164 1/20 0.32
▸ TBK1 Q9UHD2 1/20 0.32
▸ ABCB1 P08183 1/20 0.32
▸ ABCG2 Q9UNQ0 1/20 0.32
▸ KDR P35968 1/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ NOS3 P29474 1/20 0.31
▸ NOS2 P35228 1/20 0.31
▸ GPBAR1 Q8TDU6 1/20 0.31
▸ IDO1 P14902 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
SCHEMBL23416935 0.79 KDM4C (0.38) KDM4CHDAC6HDAC1CDK5CDK5R1
SCHEMBL11916028 0.79 KDM4C (0.35) KDM4CHSF1HDAC6HDAC1CDK5
SCHEMBL11919035 0.79 IDO1 (0.36) KDM4CHSF1HDAC6HDAC1CDK5
SCHEMBL442421 0.78 KDM4C (0.46) KDM4CHSF1HDAC6HDAC1CDK5
SCHEMBL23416965 0.78 CCR1 (0.58) KDM4CHDAC6CCR1CCR5CCR8
SCHEMBL2804255 0.74 KDM4C (0.40) KDM4CHSF1HDAC6HDAC1CDK5
SCHEMBL15322100 0.72 HSF1 (0.35) KDM4CHSF1HDAC6HDAC1CDK5
SCHEMBL26793539 0.72 L3MBTL1 (0.40) KDM4CHSF1HDAC6HDAC1CDK5
SCHEMBL17694181 0.72 KDM4C (0.40) KDM4CHSF1HDAC6HDAC1CDK5
SCHEMBL27514733 0.72 KDM4C (0.34) KDM4CHDAC6HDAC1

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 KDM4C 2991/4885HSF1 3852/4885HDAC6 4263/4885
US-20170218000-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 KDM4C 2559/4885HSF1 2177/4885HDAC6 2663/4885
US-20150225436-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 KDM4C 2495/4885HSF1 2081/4885HDAC6 2267/4885
US-20140364423-A1 Pyrazinopyrazines and Derivatives as Kinase Inhibitors MAP3K5, MAP3K15, MAP4K2 KDM4C 1787/4885HSF1 2354/4885HDAC6 1058/4885
US-20110294806-A1 AZAINDOLE DERIVATIVES AS KINASE INHIBITORS ABL1, CDKN1A, MAP3K13 KDM4C 889/4885HSF1 3272/4885HDAC6 552/4885
US-20130225527-A1 Phosphorus Derivatives as Kinase Inhibitors PHKA1, PIK3CA, PHKA2 KDM4C 2991/4885HSF1 3852/4885HDAC6 4263/4885
US-20130225528-A1 Phosphorus Derivatives as Kinase Inhibitors PHKA1, PIK3CA, PHKA2 KDM4C 2991/4885HSF1 3852/4885HDAC6 4263/4885

“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.

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