SCHEMBL8529995

SCHEMBL8529995

Cc1nc2cc(C)c(C)cc2c(=O)[nH]1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.66
ALDH1A1 P00352 2/20 0.66
GAA P10253 2/20 0.66
MAPT P10636 2/20 0.66
NPC1 O15118 1/20 0.66
USP2 O75604 1/20 0.66
GLA P06280 1/20 0.66
HPGD P15428 1/20 0.66
RAB9A P51151 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
PARP1 P09874 4/20 0.56
TNKS2 Q9H2K2 1/20 0.56
HSD17B10 Q99714 3/20 0.56
LMNA P02545 1/20 0.56
IP6K1 Q92551 1/20 0.51
NPSR1 Q6W5P4 2/20 0.50
POLB P06746 1/20 0.50
CYP1A2 P05177 1/20 0.49
TRPV1 Q8NER1 3/20 0.48
TYMS P04818 5/20 0.45

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
SCHEMBL20327023 0.85 KDM4E (0.58) KDM4EALDH1A1GAAMAPTNPC1
SCHEMBL20327033 0.85 KDM4E (0.58) KDM4EALDH1A1GAAMAPTNPC1
SCHEMBL9252606 0.85 KDM4E (0.58) KDM4EALDH1A1GAAMAPTNPC1
SCHEMBL9298476 0.85 KDM4E (0.58) KDM4EALDH1A1GAAMAPTNPC1
SCHEMBL8485108 0.85 KDM4E (0.58) KDM4EALDH1A1GAAMAPTNPC1
SCHEMBL8488865 0.84 KDM4E (0.57) KDM4EALDH1A1GAAMAPTNPC1
SCHEMBL9216843 0.83 KDM4E (0.55) KDM4EALDH1A1GAAMAPTNPC1
SCHEMBL20511734 0.83 KDM4E (0.59) KDM4EALDH1A1GAAMAPTNPC1
SCHEMBL12388167 0.83 TRPV1 (0.58) KDM4EALDH1A1GAAMAPTNPC1
SCHEMBL9817824 0.83 KDM4E (0.59) KDM4EALDH1A1GAAMAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997028134-A1 PROCESS FOR PREPARING QUINAZOLONES HOECHST CELANESE CORPORATION (US) 1997-08-07 WO claimed
US-8815879-B2 Substituted 4-(selenophen-2(or-3)-ylamino)pyrimidine compounds and methods of use thereof KASINA LAILA INNOVA PHARMACEUTICALS PRIVATE LIMITED (US) 2014-08-26 US disclosed
US-20130266563-A1 SUBSTITUTED 4-(SELENOPHEN-2(OR-3)-YLAMINO)PYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF KASINA LAILA INNOVA PHARMACEUTICALS PRIVATE LIMITED (IN) 2013-10-10 US disclosed
US-5763608-A DEHYDRATION A N-ACYL BETA AMINO ACID TO FORM AN OXAZONE, ADDING A CARBOXYLIC ACID, DISTILLATION AND HEATING HOECHST CELANESE CORPORATION (US) 1998-06-09 US disclosed
US-5739330-A DEHYDRATING AN N-ACYL BETA AMINO ACID TO FORM OXAZONE, ADDING CARBOXYLIC ACID AND AMINE SALT, DISTILLING TO FORM QUINAZOLONE HOECHST CELANESE CORPORATION (US) 1998-04-14 US disclosed
WO-1997028118-A1 PROCESS FOR PREPARING ANTHRANILIC ACIDS HOECHST CELANESE CORPORATION (US) 1997-08-07 WO disclosed
WO-1997028134-A1 PROCESS FOR PREPARING QUINAZOLONES HOECHST CELANESE CORPORATION (US) 1997-08-07 WO disclosed
WO-1997028132-A1 PROCESS FOR PREPARING PYRIMIDIN DERIVATIVES HOECHST CELANESE CORPORATION (US) 1997-08-07 WO disclosed
US-5395838-A Aromatic aminomethyl substitutes compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1995-03-07 US disclosed
EP-0373891-B1 Anti-tumour agents ICI PLC (GB) 1994-11-02 EP disclosed
WO-1994007869-A1 QUINAZOLINE DERIVATIVES ZENECA LIMITED (GB) 1994-04-14 WO disclosed
US-5280027-A Quinazoline containing compound IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-01-18 US disclosed
EP-0284338-B1 Anti-tumour agents ICI PLC (GB) 1993-12-22 EP disclosed
US-5252573-A Quinazoline derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-10-12 US disclosed
US-5089499-A Anticarcinogenic agents; thymidylate synthetase inhibitors; antiallergens; psoriasis IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-02-18 US disclosed
EP-0459730-A2 Anti-tumour compounds ZENECA LIMITED (GB) 1991-12-04 EP disclosed
US-4981856-A QUINAZOLINE IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-01-01 US disclosed
EP-0373891-A2 Anti-tumour agents IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-06-20 EP disclosed
EP-0284338-A2 Anti-tumour agents IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-09-28 EP 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-20130266563-A1 SUBSTITUTED 4-(SELENOPHEN-2(OR-3)-YLAMINO)PYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF RPS6, SULT1E1, SCLY KDM4E 2187/4885ALDH1A1 2281/4885GAA 4703/4885

“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.