SCHEMBL17604235

SCHEMBL17604235

COC(=O)c1cnc(C(C)C)n1N

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.43
MAPK1 P28482 3/20 0.38
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
RAB9A P51151 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MLYCD O95822 2/20 0.35
NPC1 O15118 1/20 0.35
TSHR P16473 1/20 0.33
MAPT P10636 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
KDM4E B2RXH2 2/20 0.33
KCNH2 Q12809 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 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
SCHEMBL12247426 0.81 HTT (0.58) HTTMAPK1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL19398928 0.81 HTT (0.40) HTTSMN1; SMN2
SCHEMBL17603718 0.81 HTT (0.40) HTTALDH1A1SMN1; SMN2MLYCDGAA
SCHEMBL31374213 0.76 SMN1; SMN2 (0.36) MAPK1ALDH1A1SMN1; SMN2RAB9AMEN1
SCHEMBL21879877 0.73 HTT (0.47) HTTMAPK1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL21879981 0.72 RAB9A (0.46) HTTMAPK1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL17868539 0.70 SMN1; SMN2 (0.48) HTTMAPK1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL17603693 0.69 PDE9A (0.40)
SCHEMBL17604139 0.69 L3MBTL1 (0.38) ALDH1A1MAPTL3MBTL1
SCHEMBL31374181 0.68 HTT (0.35) HTTMAPK1RAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025024726-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE KINNATE BIOPHARMA INC. (US) 2025-01-30 WO disclosed
US-20170273985-A1 TRICYCLIC DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2017-09-28 US disclosed
US-20170273985-A1 TRICYCLIC DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2017-09-28 US disclosed
WO-2016042775-A1 TRICYCLIC DERIVATIVE SUNOVION PHARMACEUTICALS INC. (US) 2016-03-24 WO disclosed
US-20160083391-A1 TRICYCLIC PIPERAZINE DERIVATIVE SUNOVION PHARMACEUTICALS INC (US) 2016-03-24 US disclosed
WO-2016042775-A1 TRICYCLIC DERIVATIVE SUNOVION PHARMACEUTICALS INC. (US) 2016-03-24 WO disclosed
US-20160083391-A1 TRICYCLIC PIPERAZINE DERIVATIVE SUNOVION PHARMACEUTICALS INC (US) 2016-03-24 US disclosed
US-20160083391-A1 TRICYCLIC PIPERAZINE DERIVATIVE SUNOVION PHARMACEUTICALS INC (US) 2016-03-24 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 (2 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-20170273985-A1 TRICYCLIC DERIVATIVE PDE3A, PDE2A, PDE5A HTT 4546/4885MAPK1 2891/4885ALDH1A1 497/4885
US-20160083391-A1 TRICYCLIC PIPERAZINE DERIVATIVE PDE3A, PDE5A, PDE2A HTT 4382/4885MAPK1 2843/4885ALDH1A1 247/4885

“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.