SCHEMBL2113287

SCHEMBL2113287

O=c1nc(Nc2ccccc2)cc[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
RAB9A P51151 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
KDM4E B2RXH2 1/20 0.55
ALPG P10696 1/20 0.55
PIM1 P11309 2/20 0.48
PIM2 Q9P1W9 1/20 0.48
CDK2 P24941 2/20 0.46
AURKA O14965 2/20 0.46
MAPK1 P28482 2/20 0.46
CHEK1 O14757 1/20 0.46
IKBKB O14920 1/20 0.46
NPC1 O15118 1/20 0.46
PDPK1 O15530 1/20 0.46
CHEK2 O96017 1/20 0.46
PRKCG P05129 1/20 0.46
CDK1 P06493 1/20 0.46
LYN P07948 1/20 0.46

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
SCHEMBL721045 0.76 APP (0.55) MAPTMEN1KMT2ARAB9ATDP1
SCHEMBL26779179 0.75 GAA (0.46) MAPTMEN1KMT2AKDM4EPIM1
SCHEMBL248683 0.74 ELANE (0.50) MEN1KMT2AKDM4EELANEHSD17B10
SCHEMBL10583833 0.74 HSD17B10 (0.47) MAPTMEN1KMT2ARAB9ATDP1
SCHEMBL5057841 0.73 SCN9A (0.41) MAPTMEN1KMT2ARAB9ATDP1
SCHEMBL3759875 0.72 MAPT (1.00) MAPTMEN1KMT2ARAB9ATDP1
SCHEMBL15194997 0.72 TAAR1 (0.46) MAPTMEN1KMT2ARAB9ATDP1
SCHEMBL210467 0.72 KMT2A (0.64) MAPTMEN1KMT2ARAB9ACDK2
SCHEMBL5822932 0.72 MAPK1 (0.35) MAPTMEN1KMT2ARAB9ATDP1
SCHEMBL8944768 0.71

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7851456-B2 P2Y6 receptor agonists for treating lung diseases INSPIRE PHARMACEUTICALS, INC. (US) 2010-12-14 US claimed
EP-1895840-A2 P2Y6 RECEPTOR AGONISTS FOR TREATING LUNG DISEASES Inspire Pharmaceuticals, Inc. (US) 2008-03-12 EP claimed
US-20070015726-A1 P2Y6 receptor agonists for treating lung diseases MERCK SHARP & DOHME LLC 2007-01-18 US claimed
WO-2007002945-A2 P2Y6 RECEPTOR AGONISTS FOR TREATING LUNG DISEASES INSPIRE PHARMACEUTICALS, INC. (US) 2007-01-04 WO claimed
EP-0981958-B1 INSECTICIDAL/ACARICIDAL AGENTS SAGAMI CHEM RES (JP) 2004-03-31 EP claimed
US-6548511-B1 Anilinopyrimidinone derivatives of given formula such as 2-(2,5-bis(trifluoromethyl)phenyl)amino-5-chloro-3-isobutyl-6 -trifluoromethyl-4(3H)-pyrimidinone; controlling pests of agricultural and horticultural products SAGAMI CHEMICAL RESEARCH CENTER (JP) 2003-04-15 US claimed
EP-0981958-A1 INSECTICIDAL/ACARICIDAL AGENTS SAGAMI CHEMICAL RESEARCH CENTER (JP) 2000-03-01 EP claimed
US-8158776-B2 P2Y6 receptor agonists for treating lung diseases INSPIRE PHARMACEUTICALS, INC. (US) 2012-04-17 US disclosed
US-20110054163-A1 P2Y6 RECEPTOR AGONISTS FOR TREATING LUNG DISEASES MERCK SHARP & DOHME LLC 2011-03-03 US disclosed
US-7851456-B2 P2Y6 receptor agonists for treating lung diseases INSPIRE PHARMACEUTICALS, INC. (US) 2010-12-14 US disclosed
EP-1895840-A2 P2Y6 RECEPTOR AGONISTS FOR TREATING LUNG DISEASES Inspire Pharmaceuticals, Inc. (US) 2008-03-12 EP disclosed
US-20070015726-A1 P2Y6 receptor agonists for treating lung diseases MERCK SHARP & DOHME LLC 2007-01-18 US disclosed
WO-2007002945-A2 P2Y6 RECEPTOR AGONISTS FOR TREATING LUNG DISEASES INSPIRE PHARMACEUTICALS, INC. (US) 2007-01-04 WO disclosed
US-6548511-B1 Anilinopyrimidinone derivatives of given formula such as 2-(2,5-bis(trifluoromethyl)phenyl)amino-5-chloro-3-isobutyl-6 -trifluoromethyl-4(3H)-pyrimidinone; controlling pests of agricultural and horticultural products SAGAMI CHEMICAL RESEARCH CENTER (JP) 2003-04-15 US disclosed
US-6548511-B1 Anilinopyrimidinone derivatives of given formula such as 2-(2,5-bis(trifluoromethyl)phenyl)amino-5-chloro-3-isobutyl-6 -trifluoromethyl-4(3H)-pyrimidinone; controlling pests of agricultural and horticultural products SAGAMI CHEMICAL RESEARCH CENTER (JP) 2003-04-15 US disclosed
EP-0981958-A4 INSECTICIDAL/ACARICIDAL AGENTS SAGAMI CHEM RES (JP) 2002-07-03 EP disclosed
EP-0981958-A1 INSECTICIDAL/ACARICIDAL AGENTS SAGAMI CHEMICAL RESEARCH CENTER (JP) 2000-03-01 EP disclosed
EP-0981958-A1 INSECTICIDAL/ACARICIDAL AGENTS SAGAMI CHEMICAL RESEARCH CENTER (JP) 2000-03-01 EP disclosed
WO-1998051152-A1 INSECTICIDAL/ACARICIDAL AGENTS SAGAMI CHEMICAL RESEARCH CENTER (JP) 1998-11-19 WO disclosed
WO-1998051675-A1 ANILINOPYRIMIDINONE DERIVATIVES, PROCESSES FOR PRODUCING THE SAME, AND INSECTICIDAL/ACARICIDAL AGENTS CONTAINING THE SAME AS ACTIVE INGREDIENT SAGAMI CHEMICAL RESEARCH CENTER (JP) 1998-11-19 WO 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 (2 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-20110054163-A1 P2Y6 RECEPTOR AGONISTS FOR TREATING LUNG DISEASES P2RY6, P2RY1, P2RY11 MAPT 4587/4885MEN1 2871/4885KMT2A 4361/4885
US-20070015726-A1 P2Y6 receptor agonists for treating lung diseases P2RY6, P2RY1, P2RY11 MAPT 4558/4885MEN1 2911/4885KMT2A 4415/4885

“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.