SCHEMBL11919082

SCHEMBL11919082

CCn1nnnc1NC(=O)c1cccnc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.62
NPC1 O15118 5/20 0.62
HSD17B10 Q99714 2/20 0.59
HPGD P15428 1/20 0.59
ALOX15 P16050 1/20 0.59
SMN1; SMN2 Q16637 4/20 0.52
KDM4E B2RXH2 4/20 0.51
ALDH1A1 P00352 3/20 0.51
TP53 P04637 2/20 0.51
POLB P06746 2/20 0.51
LMNA P02545 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
MAPT P10636 2/20 0.50
GFER P55789 1/20 0.50
HIF1A Q16665 1/20 0.50
GAA P10253 1/20 0.49
ROCK2 O75116 1/20 0.49
ROCK1 Q13464 1/20 0.49
KMT2A Q03164 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 0.83 RAB9A (0.57) RAB9ANPC1HSD17B10HPGDALOX15
SCHEMBL29828077 0.83 RAB9A (0.57) RAB9ANPC1HSD17B10HPGDALOX15
SCHEMBL19203770 0.81 RAB9A (0.52) RAB9ANPC1HSD17B10HPGDALOX15
SCHEMBL12145802 0.81 RAB9A (0.53) RAB9ANPC1HSD17B10HPGDALOX15
SCHEMBL11915950 0.80 RAB9A (0.51) RAB9ANPC1HSD17B10HPGDALOX15
SCHEMBL17712744 0.71 RAB9A (0.60) RAB9ANPC1HSD17B10HPGDALOX15
SCHEMBL21222317 0.71 NPC1 (0.50) RAB9ANPC1HPGDSMN1; SMN2KDM4E
SCHEMBL18932459 0.70 CYP1A2 (0.53) RAB9ANPC1HPGDSMN1; SMN2KDM4E
SCHEMBL15326621 0.70 KDM4E (0.69) RAB9ANPC1HPGDSMN1; SMN2KDM4E
SCHEMBL353230 0.70 THRB (0.72) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120202776-A1 PHOSPHORUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2012-08-09 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 (1 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-20120202776-A1 PHOSPHORUS DERIVATIVES AS KINASE INHIBITORS PHKA1, PIK3CA, PHKA2 RAB9A 2280/4885NPC1 3518/4885HSD17B10 2907/4885

“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.