SCHEMBL16017429

SCHEMBL16017429

CCn1nc(C)cc1-c1ccc(NC(=O)c2ccccc2F)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 6/20 0.54
▸ NPC1 O15118 6/20 0.54
▸ RAB9A P51151 6/20 0.54
▸ KDM4E B2RXH2 3/20 0.54
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ TDP1 Q9NUW8 2/20 0.53
▸ MAPT P10636 5/20 0.52
▸ LMNA P02545 2/20 0.52
▸ TP53 P04637 2/20 0.52
▸ NFKB1 P19838 1/20 0.52
▸ NFKB2 Q00653 1/20 0.52
▸ RELA Q04206 1/20 0.52
▸ HTT P42858 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.47
▸ JAK1 P23458 1/20 0.47
▸ F2R P25116 1/20 0.46
▸ CTDSP1 Q9GZU7 1/20 0.46
▸ POLB P06746 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
SCHEMBL16017427 0.88 IL2 (0.58) RAB9AMEN1KMT2AHTTJAK1
SCHEMBL16017433 0.87 RAB9A (0.49) SMN1; SMN2NPC1RAB9AKDM4EMEN1
SCHEMBL14887684 0.86 MAPT (0.55) SMN1; SMN2NPC1RAB9AKDM4EMEN1
SCHEMBL18038393 0.80 STIM1 (0.45) SMN1; SMN2NPC1RAB9AKDM4EMEN1
SCHEMBL16017428 0.76 MEN1 (0.47) SMN1; SMN2KDM4EMEN1KMT2ATDP1
SCHEMBL16017434 0.75 IL2 (0.52) SMN1; SMN2NPC1RAB9AKDM4EMEN1
SCHEMBL16017430 0.74 STIM1 (0.43) SMN1; SMN2KDM4EMEN1KMT2AMAPT
SCHEMBL14887765 0.74 IL2 (0.53) SMN1; SMN2MAPTTP53POLB
SCHEMBL14887845 0.74 STIM1 (0.51) SMN1; SMN2NPC1RAB9AKDM4EMEN1
SCHEMBL14887780 0.73 MAPT (0.57) SMN1; SMN2NPC1RAB9AMEN1KMT2A

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-20140256771-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. 2014-09-11 — — 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-20140256771-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 SMN1; SMN2 854/4885NPC1 262/4885RAB9A 1174/4885

“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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