SCHEMBL24678700

SCHEMBL24678700

CC(C)Cc1cccc2cn[nH]c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 3/20 0.49
▸ GABRA1 P14867 1/20 0.44
▸ GABRB2 P47870 1/20 0.44
▸ MAPT P10636 2/20 0.42
▸ PLK4 O00444 1/20 0.42
▸ CHEK1 O14757 1/20 0.42
▸ AURKA O14965 1/20 0.42
▸ DAPK3 O43293 1/20 0.42
▸ MAP4K4 O95819 1/20 0.42
▸ CSF1R P07333 1/20 0.42
▸ RET P07949 1/20 0.42
▸ FGFR1 P11362 1/20 0.42
▸ PDGFRA P16234 1/20 0.42
▸ LTK P29376 1/20 0.42
▸ KDR P35968 1/20 0.42
▸ MAP2K2 P36507 1/20 0.42
▸ FLT3 P36888 1/20 0.42
▸ CSNK1A1 P48729 1/20 0.42
▸ PRKX P51817 1/20 0.42
▸ CDK5 Q00535 1/20 0.42

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
SCHEMBL12181032 0.80 NOS1 (0.53) NOS1MAPTPLK4CHEK1AURKA
SCHEMBL18584951 0.80 NOS1 (0.58) NOS1MAPTPLK4CHEK1AURKA
Bromide SCHEMBL30647117 0.79 NOS1 (0.56) NOS1MAPTPLK4CHEK1AURKA
SCHEMBL24249558 0.77 NOS1 (0.50) NOS1MAPTPLK4CHEK1AURKA
SCHEMBL26290444 0.77 MAPT (0.40) NOS1GABRA1GABRB2MAPTPLK4
SCHEMBL14737640 0.77 NOS1 (0.53) NOS1MAPTPLK4CHEK1AURKA
SCHEMBL23653921 0.77 NOS1 (0.53) NOS1MAPTPLK4CHEK1AURKA
SCHEMBL30829740 0.77 NOS1 (0.53) NOS1MAPTPLK4CHEK1AURKA
SCHEMBL27458594 0.77 NOS1 (0.53) NOS1MAPTPLK4CHEK1AURKA
SCHEMBL25048626 0.76 HTR2A (0.49) NOS1MAPTPLK4CHEK1AURKA

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-20220298146-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF TRANSTHERA SCIENCES (NANJING), INC. (CN) 2022-09-22 — — 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-20220298146-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF RET, MERTK, MIF NOS1 600/4885GABRA1 1453/4885GABRB2 1602/4885

“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.

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