SCHEMBL214874

SCHEMBL214874

Cc1ccc(-n2cnc(C(N)=O)c2C(=O)NCc2ccccn2)c(C)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.50
HPGD P15428 1/20 0.50
PKM P14618 1/20 0.47
NPC1 O15118 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KDM4E B2RXH2 1/20 0.45
TP53 P04637 3/20 0.45
ADORA2A P29274 3/20 0.45
ADORA1 P30542 3/20 0.45
LMNA P02545 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 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
SCHEMBL213156 0.87 LMNA (0.46) RAB9AHPGDNPC1TP53LMNA
SCHEMBL216710 0.83 MMP13 (0.45) RAB9AHPGDNPC1KDM4ETP53
SCHEMBL216052 0.79 MAPT (0.46) RAB9AHPGDNPC1LMNAALDH1A1
SCHEMBL216596 0.74 PTGES (0.38) KDM4ETP53LMNAALDH1A1MAPT
SCHEMBL214146 0.74 NPC1 (0.47) RAB9AHPGDNPC1SMN1; SMN2KDM4E
SCHEMBL215671 0.72 MMP13 (0.47) RAB9AHPGDNPC1SMN1; SMN2KDM4E
SCHEMBL214569 0.69 ALDH1A1 (0.47) HPGDSMN1; SMN2KDM4ELMNAL3MBTL1
SCHEMBL216150 0.69 PRKCI (0.50) RAB9ANPC1MAPT
SCHEMBL30287914 0.68 RAB9A (0.74) RAB9AHPGDNPC1SMN1; SMN2KDM4E
SCHEMBL13102332 0.68 RAB9A (0.74) RAB9AHPGDNPC1SMN1; SMN2KDM4E

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 7 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 claimed
EP-2061768-A2 IMIDAZOLE-4,5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS Exelixis, Inc. (US) 2009-05-27 EP claimed
WO-2008042282-A2 IMIDAZOLE-4, 5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS EXELIXIS, INC. (US) 2008-04-10 WO claimed
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
EP-2061768-A2 IMIDAZOLE-4,5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS Exelixis, Inc. (US) 2009-05-27 EP 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 2213/4885HPGD 3138/4885PKM 934/4885

“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.