SCHEMBL3048962

SCHEMBL3048962

C=C(C)COc1ccc(NC(C)=O)cc1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR174 Q9BXC1 1/20 0.72
KMT2A Q03164 3/20 0.67
MEN1 O00255 2/20 0.67
LMNA P02545 1/20 0.67
CYP1A2 P05177 1/20 0.67
TDP1 Q9NUW8 1/20 0.67
MAPT P10636 5/20 0.61
ALDH1A1 P00352 4/20 0.61
HTT P42858 2/20 0.61
RAB9A P51151 2/20 0.61
HSD17B10 Q99714 2/20 0.61
POLB P06746 2/20 0.61
L3MBTL1 Q9Y468 1/20 0.57
PKM P14618 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.54

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
SCHEMBL8601340 0.90 GPR174 (0.72) GPR174KMT2AMEN1LMNACYP1A2
SCHEMBL10608486 0.86 KMT2A (0.71) KMT2AMEN1LMNACYP1A2TDP1
SCHEMBL839926 0.84 MEN1 (0.69) GPR174KMT2AMEN1LMNACYP1A2
SCHEMBL22388441 0.84 GPR174 (1.00) GPR174KMT2AMEN1MAPTALDH1A1
SCHEMBL12678535 0.83 MEN1 (0.67) KMT2AMEN1LMNACYP1A2TDP1
SCHEMBL1064813 0.82 KMT2A (0.71) KMT2AMEN1LMNACYP1A2TDP1
SCHEMBL11111056 0.82 ALDH1A1 (0.80) KMT2AMEN1LMNACYP1A2TDP1
SCHEMBL18470893 0.81 ALDH1A1 (0.69) GPR174KMT2AMEN1LMNACYP1A2
SCHEMBL10338925 0.81 GPR174 (0.58) GPR174KMT2AMEN1LMNAMAPT
SCHEMBL8657499 0.81 NPC1 (0.70) GPR174KMT2AMEN1LMNACYP1A2

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 4 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
US-5889078-A HOMO OR COPOLYMERISING ACRYLIC OR METHACRYLIC ACID DERIVATIVE FORMED BY REACTING ACID DERIVATIVE WITH DRUGS-ACETAMINOPHEN, NICOTINAMIDE, FLUOROURACIL, AMPHOTERICIN B, METHYLDOPA AND CEPHALEXIN BY GRINIDNG, RUBBING AND HIGH SPEED VIBRATION EISAI CO., LTD. (JP) 1999-03-30 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 GPR174 893/4885KMT2A 3053/4885MEN1 678/4885

“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.