SCHEMBL2003114

SCHEMBL2003114

Cc1cncc(C(=O)O)c1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.52
GABRP O00591 3/20 0.48
GABRD O14764 3/20 0.48
GABRA1 P14867 3/20 0.48
GABRB1 P18505 3/20 0.48
GABRG2 P18507 3/20 0.48
GABRB3 P28472 3/20 0.48
GABRA5 P31644 3/20 0.48
GABRA3 P34903 3/20 0.48
GABRA2 P47869 3/20 0.48
GABRB2 P47870 3/20 0.48
GABRA4 P48169 3/20 0.48
GABRE P78334 3/20 0.48
GABRA6 Q16445 3/20 0.48
GABRG1 Q8N1C3 3/20 0.48
GABRG3 Q99928 3/20 0.48
GABRQ Q9UN88 3/20 0.48
KMT2A Q03164 4/20 0.47
TDP1 Q9NUW8 3/20 0.42
MEN1 O00255 3/20 0.42

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
SCHEMBL30573034 1.00 KDM4E (0.52) KDM4EGABRPGABRDGABRA1GABRB1
SCHEMBL9803915 0.84 KDM4E (0.50) KDM4EGABRPGABRDGABRA1GABRB1
SCHEMBL6577587 0.83 GABRP (0.42) KDM4EGABRPGABRDGABRA1GABRB1
Hydrochloric Acid SCHEMBL11682177 0.81 GABRP (0.41) KDM4EGABRPGABRDGABRA1GABRB1
SCHEMBL18914011 0.80 HCAR2 (0.46) KDM4EGABRPGABRDGABRA1GABRB1
SCHEMBL2324842 0.79 KDM4E (0.52) KDM4EGABRPGABRDGABRA1GABRB1
SCHEMBL2005686 0.79 SIRT3 (0.38) KDM4EGABRPGABRDGABRA1GABRB1
SCHEMBL2003190 0.79 KDM4E (0.50) KDM4ETDP1ALDH1A1MAPTSIRT3
SCHEMBL30573060 0.79 KDM4E (0.50) KDM4ETDP1ALDH1A1MAPTSIRT3
SCHEMBL9311927 0.77 KDM4E (0.50) KDM4EGABRPGABRDGABRA1GABRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4511114-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN Vertex Pharmaceuticals Incorporated (US) 2025-02-26 EP disclosed
US-20230382910-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED 2023-11-30 US disclosed
US-20230382910-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED 2023-11-30 US disclosed
US-20230382910-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED 2023-11-30 US disclosed
WO-2023205778-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-10-26 WO disclosed
WO-2023205778-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-10-26 WO disclosed
US-7960394-B2 3,8-dimethyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]-4(3H)-quinazolinone; 6-chloro-3-methyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]pyrido[3,4-d]-pyrimidin-4(3H)-one; 2-[4-(1-cyclopentyl-4-piperidinyloxy)phenyl]-3-methylpyrido[2,3-d]-pyrimidin-4(3H)-one; treats metabolic, nervous system, vascular disorders BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-06-14 US disclosed
CN-1960977-B Quinazoline derivative BANYU PHARMA CO LTD 2010-07-21 CN disclosed
US-20080275069-A1 Quinazoline Derivative MSD K.K. (JP) 2008-11-06 US disclosed
CN-1960977-A Quinazoline derivative BANYU PHARMA CO LTD (JP) 2007-05-09 CN disclosed
EP-1757594-A1 QUINAZOLINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-02-28 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 (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-20080275069-A1 Quinazoline Derivative HRH3, HRH4, HRH2 KDM4E 3385/4885GABRP 2581/4885GABRD 2545/4885
US-20230382910-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN TRPV1, SCN3A, KCNN3 KDM4E 4346/4885GABRP 192/4885GABRD 196/4885

“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.