SCHEMBL9912664

SCHEMBL9912664

CCc1nc(C(C)(C)C)n[nH]1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.36
NPC1 O15118 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ADORA3 P0DMS8 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
HTT P42858 1/20 0.30

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
SCHEMBL18905841 0.83 GLA (0.41)
SCHEMBL14642680 0.80 RAB9A (0.35) RAB9ANPC1SMN1; SMN2ADORA3ADORA2A
SCHEMBL9911600 0.69 NPC1 (0.32) NPC1
SCHEMBL11385531 0.68 ALDH1A1 (0.33) SMN1; SMN2
SCHEMBL13150042 0.68 ADORA2A (0.32) ADORA2AADORA1
SCHEMBL671737 0.68 TDP1 (0.32) SMN1; SMN2HTT
SCHEMBL21737413 0.67
SCHEMBL22409950 0.67
SCHEMBL27956808 0.67 RAB9A (0.38) RAB9ANPC1SMN1; SMN2ADORA3ADORA2A
SCHEMBL21718634 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3870573-B1 FUNCTIONALIZED AMINOTRIAZINES LEADXPRO AG (CH) 2023-08-02 EP disclosed
WO-2020157069-A1 AMINO HETEROCYCLIC COMPOUNDS AND USES THEREOF NodThera Limited (GB) 2020-08-06 WO disclosed
WO-2020083957-A1 FUNCTIONALIZED AMINOTRIAZINES LEADXPRO AG (CH) 2020-04-30 WO disclosed
US-8193225-B2 Isoxazole amides, derivatives and methods of chemical induction of neurogenesis THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-06-05 US disclosed
US-20090036451-A1 Chemical inducers of neurogenesis THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2009-02-05 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-20090036451-A1 Chemical inducers of neurogenesis DCX, NES, GAP43 RAB9A 2878/4885NPC1 1941/4885SMN1; SMN2 929/4885

“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.