SCHEMBL14747228

SCHEMBL14747228

CCOC(=O)c1c(-c2ccccc2)nn(C)c1N

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.57
HSD17B10 Q99714 3/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
HTT P42858 1/20 0.57
ADORA3 P0DMS8 4/20 0.54
MAPK1 P28482 1/20 0.53
ALDH1A1 P00352 5/20 0.53
HPGD P15428 4/20 0.53
NPSR1 Q6W5P4 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
KMT2A Q03164 1/20 0.53
KDM4E B2RXH2 2/20 0.52
RAB9A P51151 2/20 0.52
TP53 P04637 2/20 0.52
MAPT P10636 4/20 0.52
LMNA P02545 2/20 0.51
GAA P10253 2/20 0.51
NPC1 O15118 1/20 0.51
CSF1R P07333 1/20 0.51
FGFR1 P11362 1/20 0.51

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
SCHEMBL19209469 0.86 ADORA3 (0.57) TSHRHSD17B10L3MBTL1HTTADORA3
SCHEMBL18740054 0.85 MAPK1 (0.55) TSHRHSD17B10L3MBTL1HTTADORA3
SCHEMBL8062280 0.82 ADORA3 (0.53) TSHRHSD17B10L3MBTL1HTTADORA3
SCHEMBL12997973 0.81 KDR (0.60) TSHRALDH1A1HPGDSMN1; SMN2KMT2A
SCHEMBL15656069 0.80 KDR (0.71) ALDH1A1SMN1; SMN2KMT2AKDM4ETP53
SCHEMBL17173936 0.80 POLB (0.68) ALDH1A1KMT2AKDM4ETP53MAPT
SCHEMBL18739960 0.79 MAPK1 (0.49) TSHRHSD17B10L3MBTL1HTTADORA3
SCHEMBL14053319 0.79 MAPK1 (0.57) TSHRHSD17B10L3MBTL1HTTMAPK1
SCHEMBL19209495 0.78 TSHR (0.57) TSHRHSD17B10L3MBTL1HTTADORA3
SCHEMBL14747500 0.78 ALDH1A1 (0.52) TSHRHTTADORA3ALDH1A1HPGD

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-20130123265-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2013-05-16 US disclosed
US-20130123265-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2013-05-16 US disclosed
US-8389567-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2013-03-05 US disclosed
US-8389567-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2013-03-05 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-20130123265-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, ATP2A1 TSHR 4131/4885HSD17B10 3158/4885L3MBTL1 3948/4885

“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.