SCHEMBL16010498

SCHEMBL16010498

Cc1nc2ccc(N)nn2c1CC(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
ADORA1 P30542 1/20 0.36
CREBBP Q92793 1/20 0.36
NOS3 P29474 3/20 0.36
NOS2 P35228 3/20 0.36
NOS1 P29475 2/20 0.36
HPGD P15428 2/20 0.36
PIK3CG P48736 1/20 0.36
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
HSD17B10 Q99714 1/20 0.36
DYRK1A Q13627 1/20 0.34
TLR7 Q9NYK1 1/20 0.33
PDE10A Q9Y233 3/20 0.32
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
ALDH1A1 P00352 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
SCHEMBL19697586 0.85 KDM4E (0.40) HPGDKDM4EUSP2HSD17B10DYRK1A
SCHEMBL18875749 0.81 KDM4E (0.39) HPGDKDM4EUSP2HSD17B10DYRK1A
SCHEMBL16011764 0.72 NOS3 (0.34) BRD4ADORA3ADORA2AADORA2BADORA1
SCHEMBL28887858 0.71 ADA (0.33) BRD4ADORA3ADORA2AADORA2BADORA1
SCHEMBL15254835 0.63 MCHR1 (0.40) BRD4ADORA3ADORA2AADORA2BADORA1
SCHEMBL16265181 0.62 KDM4E (0.42) HPGDKDM4EHSD17B10DYRK1APDE10A
SCHEMBL15255099 0.62 MCHR1 (0.39) KDM4ETLR7NPC1RAB9A
SCHEMBL14927151 0.61 BRD4 (0.58) BRD4ADORA3ADORA2AADORA2BADORA1
SCHEMBL17283445 0.61 KDM4E (0.41) KDM4EDYRK1APDE10ANPC1RAB9A
SCHEMBL15690033 0.61 PDE10A (0.45) KDM4EDYRK1APDE10AALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160228437-A1 MIXED LINEAGE KINASE INHIBITORS AND METHOD OF TREATMENTS Califia Bio, Inc. 2016-08-11 US disclosed
US-9370515-B2 Mixed lineage kinase inhibitors and method of treatments Califia Bio, Inc. (US) 2016-06-21 US disclosed
US-20140256733-A1 MIXED LINEAGE KINASE INHIBITORS AND METHOD OF TREATMENTS Califia Bio, Inc. (US) 2014-09-11 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 (2 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-20160228437-A1 MIXED LINEAGE KINASE INHIBITORS AND METHOD OF TREATMENTS MAP3K2, MAP3K1, MAP3K20 BRD4 483/4885ADORA3 3898/4885ADORA2A 3453/4885
US-20140256733-A1 MIXED LINEAGE KINASE INHIBITORS AND METHOD OF TREATMENTS MAP3K2, MAP3K1, MAP3K20 BRD4 483/4885ADORA3 3898/4885ADORA2A 3453/4885

“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.