SCHEMBL12736701

SCHEMBL12736701

CNc1nc(C)nc2sccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.49
HSD17B10 Q99714 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KMT2A Q03164 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 1/20 0.44
PKM P14618 1/20 0.44
KDM4E B2RXH2 1/20 0.41
FLT3 P36888 6/20 0.36
ELANE P08246 1/20 0.36
CDK2 P24941 1/20 0.36
CDK6 Q00534 1/20 0.36
HTT P42858 2/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
PLD3 Q8IV08 1/20 0.35
CHEK1 O14757 1/20 0.35
AURKA O14965 1/20 0.35
DAPK3 O43293 1/20 0.35

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
SCHEMBL805580 0.81 ELANE (0.50) MAPK1HSD17B10L3MBTL1KMT2ASMN1; SMN2
SCHEMBL11203602 0.80 PDE2A (0.42) MAPK1HSD17B10L3MBTL1KMT2AALDH1A1
SCHEMBL12963987 0.77 ELANE (0.40) MAPK1HSD17B10L3MBTL1KMT2AFLT3
SCHEMBL3445188 0.76 MAPK1 (0.54) MAPK1HSD17B10L3MBTL1KMT2ASMN1; SMN2
SCHEMBL5463564 0.74 KMT2A (0.65) L3MBTL1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL18540833 0.74 KMT2A (0.45) MAPK1HSD17B10L3MBTL1KMT2ASMN1; SMN2
SCHEMBL17181116 0.73 ADORA2A (0.55) MAPK1HSD17B10L3MBTL1KMT2ASMN1; SMN2
SCHEMBL1367579 0.73 KMT2A (0.54) MAPK1HSD17B10L3MBTL1KMT2ASMN1; SMN2
SCHEMBL5313613 0.73 MAPK1 (0.51) MAPK1HSD17B10L3MBTL1KMT2ASMN1; SMN2
SCHEMBL10292506 0.73 MAPK1 (0.51) MAPK1HSD17B10L3MBTL1KMT2ASMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8669081-B2 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-03-11 US disclosed
US-8633210-B2 Triazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-21 US disclosed
US-8524720-B2 Substituted N-(pyrazol-5-yl)-pyrrolo[3,2-D]pyrimidin-4-amine useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-03 US disclosed
US-20110086856-A1 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-04-14 US disclosed
US-7390815-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-06-24 US disclosed
US-7179826-B2 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-02-20 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-20110086856-A1 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES MAP3K20, PACSIN2, MAP3K6 MAPK1 222/4885HSD17B10 3589/4885L3MBTL1 2938/4885

“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.