SCHEMBL14197397

SCHEMBL14197397

Nc1c(N)c2ccccc2n(CC(=O)c2ccccc2)c1=O

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.48
▸ TSHR P16473 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ GLA P06280 1/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ HRH1 P35367 1/20 0.44
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ IDO1 P14902 1/20 0.43

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
SCHEMBL14197667 0.79 TSHR (0.42) MAPK1TSHRHSD17B10SMN1; SMN2MEN1
SCHEMBL27854511 0.79 MAPK1 (0.46) MAPK1TSHRHSD17B10SMN1; SMN2MEN1
SCHEMBL14197401 0.77 MAPK1 (0.40) MAPK1TSHRHSD17B10SMN1; SMN2MEN1
SCHEMBL11748265 0.73 IDO1 (0.56) MAPK1TSHRHSD17B10MEN1KMT2A
SCHEMBL13708865 0.72 MAPK1 (0.45) MAPK1TSHRHSD17B10SMN1; SMN2MEN1
SCHEMBL1060629 0.72 L3MBTL1 (0.67) MAPK1HSD17B10SMN1; SMN2MEN1KMT2A
SCHEMBL9232260 0.71 HSD17B10 (0.45) HSD17B10LMNA
SCHEMBL11256989 0.70 APEX1 (0.79) MAPK1TSHRHSD17B10SMN1; SMN2MEN1
SCHEMBL12962917 0.70 NPC1 (0.45) MAPK1TSHRHSD17B10SMN1; SMN2MEN1
SCHEMBL27890324 0.69 IDO1 (0.61) KMT2AGLAKDM4ENPC1RAB9A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080139551-A1 TUMOR NECROSIS FACTOR ALPHA INHIBITORS AND THEIR USE IN THE TREATMENT OF HUMAN DISEASES AVANIR PHARMACEUTICALS (US) 2008-06-12 — — 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-20080139551-A1 TUMOR NECROSIS FACTOR ALPHA INHIBITORS AND THEIR USE IN THE TREATMENT OF HUMAN DISEASES TNF, TNFRSF1A, TNFRSF9 MAPK1 3908/4885TSHR 1761/4885HSD17B10 1450/4885

“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.

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