SCHEMBL3312349

SCHEMBL3312349

O=C(O)c1cnc2ccncn12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 6/20 0.39
NAPRT Q6XQN6 2/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 4/20 0.34
TDP1 Q9NUW8 2/20 0.34
MEN1 O00255 1/20 0.34
KDM6B O15054 1/20 0.34
KDM4A O75164 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4D Q6B0I6 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TGFBR2 P37173 1/20 0.34
ADORA2A P29274 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
CLK1 P49759 1/20 0.33

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
SCHEMBL14957015 0.77 KDM4E (0.47) TGFBR1NPC1RAB9AALDH1A1KDM4E
SCHEMBL14750950 0.75 ADH5 (0.49) TGFBR1MEN1MAPTKMT2AADH5
SCHEMBL2868846 0.73 KDM4E (0.38) TGFBR1NAPRTNPC1RAB9AALDH1A1
SCHEMBL496758 0.73 NPC1 (0.60) TGFBR1NPC1RAB9AALDH1A1KDM4E
SCHEMBL27077073 0.71 TGFBR1 (0.48) TGFBR1TGFBR2ADORA2ACLK1EPHB3
SCHEMBL9753957 0.71 KDM4E (0.50) TGFBR1NAPRTNPC1RAB9AKDM4E
Hydrochloric Acid SCHEMBL21834227 0.71 NPC1 (0.59) TGFBR1NPC1RAB9AALDH1A1KDM4E
SCHEMBL2817471 0.70 ADORA2A (0.54) TGFBR1KDM4ETGFBR2ADORA2A
SCHEMBL1649588 0.70 TGFBR1 (0.47) TGFBR1ALDH1A1KDM4ETGFBR2ADORA2A
SCHEMBL14756587 0.70 TGFBR1 (0.48) TGFBR1TGFBR2ADORA2ACLK1EPHB3

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-20100113531-A1 THIAZOLIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2010-05-06 US claimed

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-20100113531-A1 THIAZOLIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR1, HCRTR2, NPY1R TGFBR1 296/4885NAPRT 1347/4885NPC1 772/4885

“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.