SCHEMBL216809

SCHEMBL216809

Cc1cccc(C)c1NC(=O)c1[nH]cnc1C(=O)Nc1nc2ccccc2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 14/20 0.52
NPC1 O15118 12/20 0.52
PKM P14618 4/20 0.52
KLF5 Q13887 2/20 0.52
OPRK1 P41145 1/20 0.52
MEN1 O00255 6/20 0.51
KMT2A Q03164 6/20 0.51
SMN1; SMN2 Q16637 6/20 0.50
MAOB P27338 1/20 0.50
ADORA2A P29274 1/20 0.50
GAA P10253 1/20 0.50
LMNA P02545 1/20 0.49
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
RECQL P46063 1/20 0.47

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
SCHEMBL2759984 0.93 NPC1 (0.53) RAB9ANPC1PKMKLF5OPRK1
SCHEMBL2759975 0.93 SMN1; SMN2 (0.50) RAB9ANPC1PKMKLF5OPRK1
SCHEMBL213366 0.92 RAB9A (0.57) RAB9ANPC1PKMKLF5OPRK1
SCHEMBL2735345 0.91 RAB9A (0.56) RAB9ANPC1PKMKLF5OPRK1
SCHEMBL2735275 0.91 SMN1; SMN2 (0.46) RAB9ANPC1PKMKLF5OPRK1
SCHEMBL2735268 0.89 GAA (0.65) RAB9ANPC1PKMKLF5OPRK1
SCHEMBL2735280 0.89 GAA (0.55) RAB9ANPC1PKMKLF5OPRK1
SCHEMBL2735384 0.88 SMN1; SMN2 (0.47) RAB9ANPC1PKMKLF5OPRK1
SCHEMBL216501 0.88 RAB9A (0.53) RAB9ANPC1PKMKLF5OPRK1
SCHEMBL2735343 0.87 NPC1 (0.58) RAB9ANPC1PKMKLF5OPRK1

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 9 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
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US claimed
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-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
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 2213/4885NPC1 3307/4885PKM 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.