SCHEMBL23344647

SCHEMBL23344647

CC(C)(C)Cc1cccnc1N1CCCOCC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
P2RX7 Q99572 1/20 0.41
PIK3CA P42336 3/20 0.41
GBA1 P04062 1/20 0.40
TRPV1 Q8NER1 1/20 0.39
SCN10A Q9Y5Y9 2/20 0.39
SCN2A Q99250 1/20 0.39
NMT1 P30419 1/20 0.39
PTK2 Q05397 1/20 0.39
PIK3CD O00329 2/20 0.39
LRRK2 Q5S007 1/20 0.39
METAP2 P50579 1/20 0.38
MAPK1 P28482 2/20 0.38
ALOX15 P16050 1/20 0.38
METAP1 P53582 1/20 0.38
MTOR P42345 1/20 0.38
PIK3CG P48736 1/20 0.38

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
SCHEMBL14436539 0.87 CYP1A2 (0.45) CYP1A2CYP2C9P2RX7SCN10ASCN2A
SCHEMBL23344783 0.86 CYP1A2 (0.48) CYP1A2CYP2C9P2RX7SCN10ASCN2A
SCHEMBL3297100 0.82 CYP1A2 (0.48) CYP1A2CYP2C9P2RX7PIK3CAGBA1
SCHEMBL14803704 0.80 CYP1A2 (0.48) CYP1A2CYP2C9PIK3CAGBA1TRPV1
SCHEMBL13409587 0.79 CYP1A2 (0.56) CYP1A2CYP2C9P2RX7PIK3CASCN10A
SCHEMBL3081290 0.79 CYP1A2 (0.52) CYP1A2CYP2C9P2RX7PIK3CASCN10A
SCHEMBL15966076 0.77 CYP1A2 (0.51) CYP1A2CYP2C9PIK3CAGBA1PTK2
SCHEMBL23344762 0.77 LRRK2 (0.39) PIK3CAPIK3CDLRRK2MTORPIK3CG
SCHEMBL3289804 0.76 CYP1A2 (0.52) CYP1A2CYP2C9P2RX7PIK3CASCN10A
SCHEMBL5311868 0.76 CYP1A2 (0.52) CYP1A2CYP2C9P2RX7PIK3CASCN10A

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-20210139456-A1 PYRIDAZINE COMPOUNDS FOR INHIBITING NAV1.8 LIEBER INSTITUTE, INC 2021-05-13 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-20210139456-A1 PYRIDAZINE COMPOUNDS FOR INHIBITING NAV1.8 SCN8A, SCN5A, SCN2A CYP1A2 3404/4885CYP2C9 4421/4885P2RX7 302/4885

“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.