SCHEMBL3049751

SCHEMBL3049751

Nc1ccc2c(c1)ncn2COCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.55
HSD17B10 Q99714 1/20 0.55
FGFR1 P11362 1/20 0.50
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
AGER Q15109 1/20 0.47
CNR1 P21554 1/20 0.44
ACHE P22303 1/20 0.44
CNR2 P34972 1/20 0.44
CYP11B1 P15538 3/20 0.43
CYP11B2 P19099 3/20 0.43
TNF P01375 1/20 0.43
HTT P42858 1/20 0.41
PKM P14618 1/20 0.41
MAOB P27338 2/20 0.40
ERBB2 P04626 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40

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
SCHEMBL3046086 0.89 CYP3A4 (0.47) MAPTHSD17B10FGFR1CYP1A2CYP3A4
SCHEMBL2377813 0.84 CYP1A2 (0.47) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL1623128 0.83 AGER (0.64) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL1621795 0.82 FGFR1 (0.54) MAPTHSD17B10FGFR1CYP1A2CYP3A4
SCHEMBL3761479 0.81 CYP11B1 (0.66) MAPTHSD17B10FGFR1CYP11B1CYP11B2
SCHEMBL3055818 0.79 PKM (0.69) MAPTFGFR1CNR1ACHECNR2
SCHEMBL19848693 0.77 MAPT (0.64) MAPTHSD17B10FGFR1CYP11B1CYP11B2
SCHEMBL30591188 0.77 MAPT (0.56) MAPTHSD17B10FGFR1CNR2CYP11B1
SCHEMBL20401102 0.76 MAPT (0.55) MAPTHSD17B10FGFR1CYP11B1CYP11B2
SCHEMBL1621828 0.74 ALDH1A1 (0.54) MAPTFGFR1CYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2393811-A1 4-AMINO-7,8-DIHYDROPYRIDO[4,3-D]PYRIMIDIN-5(6H)-ONE DERIVATIVES Pfizer Inc. (US) 2011-12-14 EP disclosed
WO-2010089686-A1 4-AMINO-7,8-DIHYDROPYRIDO[4,3-D]PYRIMIDIN-5(6H)-ONE DERIVATIVES PFIZER INC. (US) 2010-08-12 WO disclosed
US-20100197591-A1 4-AMINO-7,8-DIHYDROPYRIDO[4,3-d]PYRIMIDIN-5(6H)-ONE DERIVATIVES PFIZER INC 2010-08-05 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-20100197591-A1 4-AMINO-7,8-DIHYDROPYRIDO[4,3-d]PYRIMIDIN-5(6H)-ONE DERIVATIVES CDK7, DPYD, DHFR MAPT 2605/4885HSD17B10 3159/4885FGFR1 1998/4885

“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.