SCHEMBL14190878

SCHEMBL14190878

CCOc1ccc(CC)nn1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.45
MAPT P10636 4/20 0.39
NQO1 P15559 1/20 0.37
SLC5A2 P31639 1/20 0.36
SMN1; SMN2 Q16637 5/20 0.36
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
EDNRA P25101 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
SCHEMBL4266171 0.86 HTT (0.53) HTTMAPTNQO1SMN1; SMN2ALDH1A1
SCHEMBL19364256 0.83 HTT (0.42) HTTMAPTNQO1SLC5A2SMN1; SMN2
SCHEMBL12141758 0.82 NNMT (0.41) HTTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL24468432 0.79 HTT (0.46) HTTMAPTSLC5A2SMN1; SMN2ALDH1A1
SCHEMBL45848 0.78 TP53 (0.33) SLC5A2ALDH1A1TP53POLB
SCHEMBL4591932 0.77 HTT (0.39) HTTMAPTNQO1SLC5A2SMN1; SMN2
SCHEMBL18291293 0.77 HTR1B (0.42) ALDH1A1
SCHEMBL29761634 0.76 HTT (0.46) HTTMAPTNQO1SMN1; SMN2ALDH1A1
SCHEMBL13576998 0.76 HTT (0.46) HTTMAPTNQO1SMN1; SMN2ALDH1A1
SCHEMBL26581934 0.75 MAOB (0.42) HTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190241575-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-08-08 US disclosed
US-7390810-B2 Pyrazole-amine compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-06-24 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-20190241575-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 HTT 1087/4885MAPT 1236/4885NQO1 3602/4885

“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.