SCHEMBL12147147

SCHEMBL12147147

Cn1nnnc1NC(=O)c1cccnc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.57
NPC1 O15118 4/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
HSD17B10 Q99714 2/20 0.57
ALDH1A1 P00352 2/20 0.57
TP53 P04637 2/20 0.57
KDM4E B2RXH2 1/20 0.57
POLB P06746 2/20 0.54
LMNA P02545 1/20 0.54
HIF1A Q16665 1/20 0.54
ALOX15 P16050 2/20 0.53
HPGD P15428 1/20 0.53
ROCK2 O75116 1/20 0.52
ROCK1 Q13464 1/20 0.52
TDP1 Q9NUW8 1/20 0.51
PIM1 P11309 1/20 0.50
PIM3 Q86V86 1/20 0.50
PIM2 Q9P1W9 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50

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
SCHEMBL29828077 1.00 RAB9A (0.57) RAB9ANPC1SMN1; SMN2HSD17B10ALDH1A1
SCHEMBL18761926 0.84 POLB (0.65) RAB9ANPC1SMN1; SMN2HSD17B10TP53
SCHEMBL17080331 0.84 POLB (0.65) RAB9ANPC1SMN1; SMN2HSD17B10TP53
SCHEMBL19203770 0.84 RAB9A (0.52) RAB9ANPC1SMN1; SMN2HSD17B10ALDH1A1
SCHEMBL12145802 0.84 RAB9A (0.53) RAB9ANPC1SMN1; SMN2HSD17B10ALDH1A1
SCHEMBL11919082 0.83 RAB9A (0.62) RAB9ANPC1SMN1; SMN2HSD17B10ALDH1A1
SCHEMBL11915950 0.83 RAB9A (0.51) RAB9ANPC1SMN1; SMN2HSD17B10ALDH1A1
SCHEMBL17712744 0.77 RAB9A (0.60) RAB9ANPC1SMN1; SMN2HSD17B10ALDH1A1
SCHEMBL30380720 0.77 POLB (0.53) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL17427473 0.75 SMN1; SMN2 (0.45) RAB9ANPC1SMN1; SMN2HSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021080330-A1 NICOTINAMIDE COMPOUND AND HERBICIDAL COMPOSITION COMPRISING COMPOUND 한국화학연구원 2021-04-29 WO claimed
WO-2021080330-A1 NICOTINAMIDE COMPOUND AND HERBICIDAL COMPOSITION COMPRISING COMPOUND 한국화학연구원 2021-04-29 WO disclosed
EP-2365809-B1 PYRAZINOPYRAZINES AND DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMA INC (US) 2018-07-18 EP disclosed
EP-3210609-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2017-08-30 EP disclosed
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
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 3834/4885SMN1; SMN2 4789/4885
US-20170218000-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 RAB9A 1513/4885NPC1 3672/4885SMN1; SMN2 4512/4885
US-20150225436-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 RAB9A 1490/4885NPC1 3877/4885SMN1; SMN2 4628/4885
US-20140364423-A1 Pyrazinopyrazines and Derivatives as Kinase Inhibitors MAP3K5, MAP3K15, MAP4K2 RAB9A 2309/4885NPC1 4413/4885SMN1; SMN2 4775/4885
US-20110294806-A1 AZAINDOLE DERIVATIVES AS KINASE INHIBITORS ABL1, CDKN1A, MAP3K13 RAB9A 1616/4885NPC1 4114/4885SMN1; SMN2 4363/4885
US-20130225527-A1 Phosphorus Derivatives as Kinase Inhibitors PHKA1, PIK3CA, PHKA2 RAB9A 2334/4885NPC1 3834/4885SMN1; SMN2 4789/4885
US-20130225528-A1 Phosphorus Derivatives as Kinase Inhibitors PHKA1, PIK3CA, PHKA2 RAB9A 2334/4885NPC1 3834/4885SMN1; SMN2 4789/4885
US-20110288078-A1 PYRAZINOPYRAZINES AND DERIVATIVES AS KINASE INHIBITORS MAP3K5, MAP3K15, MAP4K2 RAB9A 2309/4885NPC1 4413/4885SMN1; SMN2 4775/4885

“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.