SCHEMBL216500

SCHEMBL216500

CCc1cccc(CC)c1NC(=O)c1c(C(N)=O)ncn1-c1nc2ccccc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 2/20 0.45
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
PKM P14618 1/20 0.39
KLF5 Q13887 1/20 0.39
CFTR P13569 1/20 0.38
CYP3A4 P08684 2/20 0.37
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 4/20 0.37
HTT P42858 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL216808 0.88 TP53 (0.42) NPC1RAB9APKMKLF5CYP3A4
SCHEMBL213365 0.85 TP53 (0.52) NPC1RAB9APKMKLF5CYP3A4
SCHEMBL214872 0.83 MAPT (0.42) CACNA1GNPC1RAB9APKMKLF5
SCHEMBL213526 0.81 SMN1; SMN2 (0.45) NPC1RAB9ACYP3A4KDM4EALDH1A1
SCHEMBL214739 0.80 KMT2A (0.48) NPC1RAB9APKMCYP3A4KDM4E
SCHEMBL213248 0.80 LCK (0.41) NPC1RAB9ACYP3A4KDM4EALDH1A1
SCHEMBL213455 0.79 EGLN1 (0.42) NPC1RAB9APKMCYP3A4KDM4E
SCHEMBL215043 0.79 KDM4E (0.38) NPC1RAB9ACYP3A4KDM4EALDH1A1
SCHEMBL215132 0.78 CYP3A4 (0.44) NPC1RAB9APKMCYP3A4KDM4E
SCHEMBL214976 0.78 LCK (0.44) NPC1RAB9ACYP3A4KDM4EALDH1A1

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 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-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 CACNA1G 4807/4885NPC1 3307/4885RAB9A 2213/4885

“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.