SCHEMBL2735302

SCHEMBL2735302

O=C(NCc1ccccn1)c1nc[nH]c1C(=O)Nc1nc2ccccc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC40A1 Q9NP59 7/20 0.49
KDM4E B2RXH2 2/20 0.49
MAPK10 P53779 1/20 0.49
HSD17B10 Q99714 1/20 0.49
ALDH1A1 P00352 2/20 0.48
GAA P10253 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
PKM P14618 2/20 0.47
MAOB P27338 1/20 0.47
ADORA2A P29274 1/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
KLF5 Q13887 1/20 0.44
SCD O00767 1/20 0.44

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
SCHEMBL2735294 0.87 ALDH1A1 (0.67) KDM4EHSD17B10ALDH1A1GAAL3MBTL1
SCHEMBL10268134 0.84 RAB9A (0.53) KDM4EHSD17B10ALDH1A1GAANPC1
SCHEMBL2735282 0.83 ALDH1A1 (0.59) HSD17B10ALDH1A1GAANPC1RAB9A
SCHEMBL2735339 0.83 NPC1 (0.56) KDM4EHSD17B10ALDH1A1GAAL3MBTL1
SCHEMBL2735307 0.81 RAB9A (0.59) KDM4EALDH1A1GAAL3MBTL1NPC1
SCHEMBL2735301 0.81 NPC1 (0.56) KDM4EALDH1A1GAAL3MBTL1NPC1
SCHEMBL2735326 0.80 NPC1 (0.50) KDM4EHSD17B10ALDH1A1GAANPC1
SCHEMBL2735300 0.79 KMT2A (0.60) KDM4EMAPK10HSD17B10ALDH1A1GAA
SCHEMBL2735305 0.78 GSK3A (0.57) NPC1RAB9ASMN1; SMN2PKMMAOB
SCHEMBL2735338 0.78 KMT2A (0.50) KDM4EHSD17B10ALDH1A1GAANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 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-20100136136-A1 JAK-2 Modulators and Methods of Use JAK2, JAK1, JAK3 SLC40A1 4619/4885KDM4E 952/4885MAPK10 365/4885

“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.