SCHEMBL216144

SCHEMBL216144

COc1ccccc1CN(C(=O)c1nc[nH]c1C(N)=O)c1nc2ccccc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 3/20 0.42
TP53 P04637 2/20 0.42
TSHR P16473 2/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
MAPK1 P28482 2/20 0.40
HSD17B10 Q99714 2/20 0.40
ALOX15 P16050 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 2/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX12 P18054 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
POLB P06746 1/20 0.38
CHEK2 O96017 1/20 0.38

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
SCHEMBL213720 0.86 ALDH1A1 (0.41) SMN1; SMN2NPC1RAB9ALMNAHTT
SCHEMBL213852 0.85 POLB (0.47) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL213971 0.84 PAX8 (0.43) SMN1; SMN2NPC1RAB9ALMNAHTT
SCHEMBL213519 0.83 MEN1 (0.46) SMN1; SMN2NPC1RAB9ATP53LMNA
SCHEMBL215003 0.83 SMN1; SMN2 (0.37) SMN1; SMN2NPC1RAB9ALMNAHTT
SCHEMBL215675 0.82 POLB (0.44) SMN1; SMN2NPC1RAB9ATP53TSHR
SCHEMBL215700 0.82 SMN1; SMN2 (0.40) SMN1; SMN2NPC1RAB9ATP53LMNA
SCHEMBL213584 0.82 CYP1A2 (0.38) LMNAHTTMAPTCYP3A4CYP2D6
SCHEMBL213499 0.79 POLB (0.42) SMN1; SMN2NPC1RAB9ATP53TSHR
SCHEMBL214035 0.79 POLB (0.41) SMN1; SMN2NPC1RAB9ATP53TSHR

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 SMN1; SMN2 2516/4885NPC1 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.