SCHEMBL216501

SCHEMBL216501

CCc1cccc(CC)c1NC(=O)c1[nH]cnc1C(=O)Nc1nc2ccccc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.53
NPC1 O15118 9/20 0.53
PKM P14618 3/20 0.53
KLF5 Q13887 2/20 0.53
MAPT P10636 1/20 0.48
RECQL P46063 1/20 0.48
SMN1; SMN2 Q16637 6/20 0.48
MAOB P27338 1/20 0.48
ADORA2A P29274 1/20 0.48
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
HTT P42858 2/20 0.48
POLB P06746 1/20 0.48
OPRK1 P41145 1/20 0.47
LMNA P02545 2/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 1/20 0.47
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL2735272 0.90 ALDH1A1 (0.54) RAB9ANPC1PKMKLF5MAPT
SCHEMBL216809 0.88 RAB9A (0.52) RAB9ANPC1PKMKLF5MAPT
SCHEMBL2735344 0.85 NPC1 (0.52) RAB9ANPC1PKMKLF5SMN1; SMN2
SCHEMBL2735343 0.85 NPC1 (0.58) RAB9ANPC1PKMKLF5SMN1; SMN2
SCHEMBL2735279 0.85 ALDH1A1 (0.52) RAB9ANPC1PKMKLF5MAPT
SCHEMBL2735378 0.85 RAB9A (0.60) RAB9ANPC1PKMKLF5MAPT
SCHEMBL213366 0.84 RAB9A (0.57) RAB9ANPC1PKMKLF5MAPT
SCHEMBL2735312 0.84 ALDH1A1 (0.50) RAB9ANPC1PKMKLF5SMN1; SMN2
SCHEMBL2759984 0.83 NPC1 (0.53) RAB9ANPC1PKMKLF5MAPT
SCHEMBL2759975 0.83 SMN1; SMN2 (0.50) RAB9ANPC1PKMKLF5MAPT

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.