SCHEMBL6780936

SCHEMBL6780936

NCc1ccc2[nH]nc(CCc3ccccc3)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.44
PARP1 P09874 1/20 0.43
JAK2 O60674 2/20 0.39
GSK3B P49841 2/20 0.38
FGFR1 P11362 1/20 0.38
FGFR2 P21802 1/20 0.38
FGFR3 P22607 1/20 0.38
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GAA P10253 1/20 0.37
PKM P14618 1/20 0.37
PRMT5 O14744 3/20 0.37
LOXL2 Q9Y4K0 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
IP6K1 Q92551 1/20 0.37
IP6K3 Q96PC2 1/20 0.37

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
SCHEMBL1129040 0.81 DCLK1 (0.56) NTRK1PARP1JAK2NPC1ALDH1A1
SCHEMBL5796193 0.77 ITK (0.48) NTRK1MAOAMAOBCDC7
Hydrochloric Acid SCHEMBL21409103 0.77 GAA (0.44) NTRK1JAK2FGFR1FGFR2FGFR3
SCHEMBL5383118 0.74 GP6 (0.51) NTRK1PARP1JAK2
SCHEMBL7214708 0.74 JAK2 (0.56) JAK2GSK3BFGFR1GAAPKM
SCHEMBL8260185 0.73 NTRK1 (0.40) NTRK1PARP1JAK2GSK3BFGFR1
Hydrochloric Acid SCHEMBL7214665 0.73 JAK2 (0.55) JAK2GSK3BFGFR1GAAPKM
SCHEMBL1129198 0.72 PDPK1 (0.50) PARP1JAK2GSK3BSMN1; SMN2PRMT5
SCHEMBL695995 0.72 PARP1 (0.40) NTRK1PARP1GSK3BNPC1ALDH1A1
SCHEMBL6583054 0.72 PARP1 (0.49) NTRK1PARP1JAK2GSK3BALDH1A1

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-20040204409-A1 Bicyclic compounds as NR2B receptor antagonists ANDO KAZUO (JP) 2004-10-14 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-20040204409-A1 Bicyclic compounds as NR2B receptor antagonists GRIN1, GRIN2B, GRIN2A NTRK1 660/4885PARP1 2580/4885JAK2 1476/4885

“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.