SCHEMBL15219252

SCHEMBL15219252

Cc1ccnc(NC2CCCNC2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.68
ALDH1A1 P00352 1/20 0.68
L3MBTL1 Q9Y468 1/20 0.68
BRD4 O60885 1/20 0.52
MAPK10 P53779 2/20 0.48
MAPK9 P45984 1/20 0.48
NOS3 P29474 1/20 0.46
NOS1 P29475 1/20 0.46
NOS2 P35228 1/20 0.46
PRKD1 Q15139 2/20 0.45
PRKD2 Q9BZL6 2/20 0.45
PRKCI P41743 1/20 0.44
ITK Q08881 1/20 0.44
IL1B P01584 2/20 0.44
NLRP3 Q96P20 1/20 0.44
MAPK1 P28482 3/20 0.44
CCNK O75909 2/20 0.43
CDK7 P50613 2/20 0.43
CCNH P51946 2/20 0.43
MNAT1 P51948 2/20 0.43

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
Hydrochloric Acid SCHEMBL15286759 0.99 KDM4E (0.67) KDM4EALDH1A1L3MBTL1BRD4MAPK10
SCHEMBL15829220 0.91 KDM4E (0.63) KDM4EALDH1A1L3MBTL1BRD4NOS3
SCHEMBL15286734 0.85 ALDH1A1 (0.66) KDM4EALDH1A1L3MBTL1NOS3NOS1
SCHEMBL15830498 0.83 ALDH1A1 (0.90) KDM4EALDH1A1L3MBTL1NOS3NOS1
SCHEMBL13922609 0.83 KDM4E (0.97) KDM4EALDH1A1L3MBTL1NOS3NOS1
SCHEMBL12146370 0.82 BRD4 (0.46) KDM4EALDH1A1L3MBTL1BRD4MAPK10
SCHEMBL11916037 0.82 MAPK1 (0.53) KDM4EALDH1A1L3MBTL1BRD4MAPK10
SCHEMBL7828265 0.82 ALDH1A1 (0.71) KDM4EALDH1A1L3MBTL1BRD4NOS3
SCHEMBL13922608 0.82 KDM4E (1.00) KDM4EALDH1A1L3MBTL1MAPK10NOS3
SCHEMBL15219316 0.81 BRD4 (0.53) KDM4EALDH1A1L3MBTL1BRD4MAPK10

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 KDM4E 1527/4885ALDH1A1 4707/4885L3MBTL1 4738/4885
US-20170218000-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 KDM4E 1164/4885ALDH1A1 4677/4885L3MBTL1 4011/4885
US-20150225436-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 KDM4E 1122/4885ALDH1A1 4769/4885L3MBTL1 4339/4885
US-20140364423-A1 Pyrazinopyrazines and Derivatives as Kinase Inhibitors MAP3K5, MAP3K15, MAP4K2 KDM4E 1170/4885ALDH1A1 3173/4885L3MBTL1 4596/4885
US-20110294806-A1 AZAINDOLE DERIVATIVES AS KINASE INHIBITORS ABL1, CDKN1A, MAP3K13 KDM4E 464/4885ALDH1A1 2111/4885L3MBTL1 3935/4885
US-20130225527-A1 Phosphorus Derivatives as Kinase Inhibitors PHKA1, PIK3CA, PHKA2 KDM4E 1527/4885ALDH1A1 4707/4885L3MBTL1 4738/4885
US-20130225528-A1 Phosphorus Derivatives as Kinase Inhibitors PHKA1, PIK3CA, PHKA2 KDM4E 1527/4885ALDH1A1 4707/4885L3MBTL1 4738/4885

“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.