SCHEMBL12145802

SCHEMBL12145802

CC(C)n1nnnc1NC(=O)c1cccnc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.53
NPC1 O15118 4/20 0.53
TP53 P04637 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
HSD17B10 Q99714 2/20 0.52
ALDH1A1 P00352 2/20 0.52
KDM4E B2RXH2 1/20 0.52
LMNA P02545 1/20 0.51
HIF1A Q16665 1/20 0.51
HPGD P15428 1/20 0.51
ALOX15 P16050 1/20 0.51
ROCK2 O75116 1/20 0.50
ROCK1 Q13464 1/20 0.50
HTT P42858 1/20 0.50
NPSR1 Q6W5P4 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
PRKAB2 O43741 1/20 0.48
PRKAG1 P54619 1/20 0.48
PRKAA2 P54646 1/20 0.48
PRKAA1 Q13131 1/20 0.48

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
SCHEMBL12147147 0.84 RAB9A (0.57) RAB9ANPC1TP53SMN1; SMN2HSD17B10
SCHEMBL29828077 0.84 RAB9A (0.57) RAB9ANPC1TP53SMN1; SMN2HSD17B10
SCHEMBL19203770 0.82 RAB9A (0.52) RAB9ANPC1TP53SMN1; SMN2HSD17B10
SCHEMBL11915950 0.81 RAB9A (0.51) RAB9ANPC1TP53SMN1; SMN2HSD17B10
SCHEMBL11919082 0.81 RAB9A (0.62) RAB9ANPC1TP53SMN1; SMN2HSD17B10
SCHEMBL17712744 0.72 RAB9A (0.60) RAB9ANPC1TP53SMN1; SMN2HSD17B10
SCHEMBL11591993 0.71 LMNA (0.63) RAB9ANPC1SMN1; SMN2HSD17B10ALDH1A1
SCHEMBL1106964 0.70 HDAC1 (0.62) RAB9ANPC1TP53SMN1; SMN2ALDH1A1
SCHEMBL21561728 0.70 RAB9A (1.00) RAB9ANPC1TP53SMN1; SMN2ALDH1A1
SCHEMBL23015730 0.69 RAB9A (0.73) RAB9ANPC1TP53SMN1; SMN2ALDH1A1

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-20200048288-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-02-13 US disclosed
US-20170218000-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. 2017-08-03 US disclosed
US-20160376297-A1 Phosphorous Derivatives as Kinase Inhibitors ARIAD PHARMA INC (US) 2016-12-29 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-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-20110288078-A1 PYRAZINOPYRAZINES AND DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2011-11-24 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 (8 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 RAB9A 2334/4885NPC1 3834/4885TP53 1126/4885
US-20170218000-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 RAB9A 1513/4885NPC1 3672/4885TP53 871/4885
US-20150225436-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 RAB9A 1490/4885NPC1 3877/4885TP53 875/4885
US-20160376297-A1 Phosphorous Derivatives as Kinase Inhibitors MAP3K6, PIK3CA, MAP3K20 RAB9A 1490/4885NPC1 3877/4885TP53 875/4885
US-20130225527-A1 Phosphorus Derivatives as Kinase Inhibitors PHKA1, PIK3CA, PHKA2 RAB9A 2334/4885NPC1 3834/4885TP53 1126/4885
US-20130225528-A1 Phosphorus Derivatives as Kinase Inhibitors PHKA1, PIK3CA, PHKA2 RAB9A 2334/4885NPC1 3834/4885TP53 1126/4885
US-20200048288-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 RAB9A 1513/4885NPC1 3672/4885TP53 871/4885
US-20110288078-A1 PYRAZINOPYRAZINES AND DERIVATIVES AS KINASE INHIBITORS MAP3K5, MAP3K15, MAP4K2 RAB9A 2309/4885NPC1 4413/4885TP53 685/4885

“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.