SCHEMBL214850

SCHEMBL214850

Cc1ccc(NC(=O)c2ncn(-c3ccc4[nH]cnc4c3)c2C(N)=O)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.42
RAB9A P51151 5/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
GAA P10253 3/20 0.42
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
ALDH1A1 P00352 2/20 0.40
CISD2 Q8N5K1 1/20 0.37
LMNA P02545 2/20 0.37
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36

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
SCHEMBL215549 0.76 NPC1 (0.41) NPC1RAB9ASMN1; SMN2GAAKDM4E
SCHEMBL217226 0.76 MEN1 (0.48) NPC1RAB9ASMN1; SMN2GAAKDM4E
SCHEMBL213206 0.74 TP53 (0.51) NPC1RAB9ASMN1; SMN2GAAL3MBTL1
SCHEMBL2735284 0.73 MAPT (0.60) NPC1RAB9ASMN1; SMN2GAAKDM4E
SCHEMBL4105577 0.73 GAA (0.55) NPC1RAB9ASMN1; SMN2GAAKDM4E
SCHEMBL17143044 0.72 TP53 (0.44) NPC1RAB9AGAACYP1A2CYP2C19
SCHEMBL214402 0.71 SMN1; SMN2 (0.46) NPC1RAB9ASMN1; SMN2KDM4ECYP1A2
SCHEMBL17143166 0.70 LMNA (0.47) NPC1RAB9ASMN1; SMN2CYP1A2CYP3A4
SCHEMBL213622 0.70 KCNH2 (0.41)
SCHEMBL216491 0.69 NTRK1 (0.47) NPC1RAB9ASMN1; SMN2KDM4EL3MBTL1

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 NPC1 3307/4885RAB9A 2213/4885SMN1; SMN2 2516/4885

“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.