SCHEMBL2735313

SCHEMBL2735313

O=C(Nc1ccccc1-n1cccc1)c1nc[nH]c1C(=O)Nc1nc2ccccc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.47
MAPT P10636 1/20 0.47
RECQL P46063 1/20 0.47
ALDH1A1 P00352 4/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
HPGD P15428 2/20 0.47
CYP1A2 P05177 1/20 0.47
NPC1 O15118 6/20 0.46
PKM P14618 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MAOB P27338 1/20 0.46
ADORA2A P29274 1/20 0.46
LMNA P02545 3/20 0.45
GAA P10253 2/20 0.44
TP53 P04637 2/20 0.43
SCD O00767 1/20 0.43
OPRK1 P41145 1/20 0.43
KLF5 Q13887 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL2735268 0.84 GAA (0.65) RAB9AMAPTRECQLALDH1A1MEN1
SCHEMBL213249 0.84 NPC1 (0.50) RAB9AALDH1A1MEN1KMT2AHPGD
SCHEMBL214740 0.84 NPC1 (0.63) RAB9AMAPTALDH1A1MEN1KMT2A
SCHEMBL2735295 0.83 MEN1 (0.50) RAB9AMAPTRECQLALDH1A1MEN1
SCHEMBL213527 0.82 RAB9A (0.61) RAB9AMAPTRECQLALDH1A1MEN1
SCHEMBL14222681 0.82 MEN1 (0.48) RAB9AALDH1A1MEN1KMT2AHPGD
SCHEMBL2735274 0.82 NPC1 (0.51) RAB9AMAPTALDH1A1MEN1KMT2A
SCHEMBL2735272 0.82 ALDH1A1 (0.54) RAB9AMAPTRECQLALDH1A1MEN1
SCHEMBL2735350 0.82 NPC1 (0.51) RAB9AALDH1A1MEN1KMT2AHPGD
SCHEMBL2735292 0.82 NPC1 (0.51) RAB9AMAPTRECQLALDH1A1MEN1

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 5 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
WO-2008042282-A2 IMIDAZOLE-4, 5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS EXELIXIS, INC. (US) 2008-04-10 WO 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 RAB9A 2213/4885MAPT 2138/4885RECQL 4093/4885

“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.