SCHEMBL12305720

SCHEMBL12305720

Cn1cc(-c2cnc3c(c2)CCN3)cn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 1/20 0.52
PIK3C3 Q8NEB9 1/20 0.48
NNMT P40261 1/20 0.43
CYP11B2 P19099 1/20 0.42
ADORA2A P29274 1/20 0.41
GRM5 P41594 1/20 0.41
PIK3CD O00329 1/20 0.41
ALOX5AP P20292 2/20 0.40
FEN1 P39748 2/20 0.40
CHEK1 O14757 1/20 0.40
CHEK2 O96017 1/20 0.40
PIM1 P11309 1/20 0.40
LRRK2 Q5S007 1/20 0.39
ABL1 P00519 1/20 0.38
AURKA O14965 1/20 0.38
TTK P33981 1/20 0.38
AURKB Q96GD4 1/20 0.38
INCENP Q9NQS7 1/20 0.38
IKBKE Q14164 1/20 0.38
TBK1 Q9UHD2 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
SCHEMBL21255300 0.76 AXL (0.46) PIK3CDLRRK2ACVR1KDM1A
SCHEMBL8385495 0.74 ASIC3 (0.57) ASIC3PIK3C3NNMTCYP11B2ADORA2A
SCHEMBL8385558 0.74 ASIC3 (0.61) ASIC3PIK3C3NNMTADORA2AGRM5
SCHEMBL10293281 0.74 ASIC3 (0.54) ASIC3PIK3C3NNMTADORA2AGRM5
SCHEMBL31659654 0.74 MAP4K1 (0.42) ASIC3CYP11B2ACVR1
SCHEMBL17785811 0.74 ERN1 (0.46) PIM1LRRK2AURKATTKAURKB
SCHEMBL17794980 0.74 AURKA (0.37) CYP11B2PIM1AURKATTKAURKB
SCHEMBL17785716 0.73 KDM1A (0.48) PIK3CDPIM1ACVR1KDM1APDK2
Hydrochloric Acid SCHEMBL25310878 0.72 MAP4K1 (0.42) ASIC3CYP11B2ACVR1
Hydrochloric Acid SCHEMBL31184480 0.72 MAP4K1 (0.42) ASIC3CYP11B2ACVR1

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-20110230482-A1 COMPOUNDS MODULATING C-FMS AND/OR C-KIT ACTIVITY PLEXXIKON INC. 2011-09-22 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-20110230482-A1 COMPOUNDS MODULATING C-FMS AND/OR C-KIT ACTIVITY KIT, FLT3, FER ASIC3 3430/4885PIK3C3 281/4885NNMT 534/4885

“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.