SCHEMBL3662663

SCHEMBL3662663

CCS(=O)(=O)Cl.O=C1c2cccc3c2C(=O)N13

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.44
ANPEP P15144 1/20 0.44
NR1H2 P55055 4/20 0.44
LMNA P02545 1/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 1/20 0.43
POLB P06746 1/20 0.41
NR1H3 Q13133 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ADORA2A P29274 1/20 0.40
CA7 P43166 1/20 0.40
HSPA1A P0DMV8 1/20 0.39
PABPC1 P11940 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
CASP1 P29466 1/20 0.38
MPI P34949 1/20 0.38
CACNA1B Q00975 1/20 0.38
APBA1 Q02410 1/20 0.38

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
SCHEMBL27689559 0.71 DPP4 (0.44) DPP4ANPEPLMNAPOLBMEN1
SCHEMBL3979412 0.70 KMT2A (0.60) NR1H2LMNAPOLBMEN1KMT2A
SCHEMBL3819605 0.70 MEN1 (0.51) DPP4NR1H2LMNAMEN1KMT2A
SCHEMBL17622170 0.70 PGR (0.50) DPP4LMNAPOLBMEN1KMT2A
SCHEMBL7768240 0.67 KMT2A (0.45) DPP4ANPEPNR1H2LMNAMEN1
SCHEMBL27586782 0.67 NR1H3 (0.70) DPP4ANPEPNR1H2LMNAPOLB
SCHEMBL11393880 0.67 CA2 (0.50) NR1H2CA2CA9POLBNR1H3
SCHEMBL1829840 0.66 HSPA1A (0.56) LMNACA2CA9POLBNR1H3
SCHEMBL17622290 0.66 POLB (0.51) DPP4NR1H2LMNACA2CA9
SCHEMBL9468736 0.66 HSPA1A (0.62) DPP4LMNACA2CA9POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2238119-B1 Quinazolines and related heterocyclic compounds, and their therapeutic use VERENIGING VOOR CHRISTELIJK HOGER ONDERWIJS WETENSCHAPPELIJK ONDERZOEK EN PATIËNTENZORG (NL) 2015-11-25 EP disclosed
US-8530486-B2 Quinazolines and related heterocyclic compounds, and their therapeutic use VERENIGING VOOR CHRISTELIJK HOGER ONDERWIJS, WETENSCHAPPELIJK ONDERZOEK EN PATIENTENZORG (NL) 2013-09-10 US disclosed
US-20100298322-A1 Quinazolines and Related Heterocyclic Compounds, and Their Therapeutic Use VERENIGING VOOR CHRISTELIJK, WETENSCHAPPELIJK ONDERZOEK EN PATIENTENZORG (NL) 2010-11-25 US disclosed
EP-2238119-A1 QUINAZOLINES AND RELATED HETEROCYCLIC COMPOUNDS, AND THEIR THERAPEUTIC USE Vereniging voor Christelijk Hoger Onderwijs, Wetenschappelijk Onderzoek en Patiëntenzorg (NL) 2010-10-13 EP disclosed
WO-2009083608-A1 QUINAZOLINES AND RELATED HETEROCYCLIC COMPOUNDS, AND THEIR THERAPEUTIC USE VERENIGING VOOR CHRISTELIJK HOGER ONDERWIJS, WETENSCHAPPELIJK ONDERZOEK EN PATIENTENZORG (NL) 2009-07-09 WO disclosed
EP-2077263-A1 Quinazolines and related heterocyclic compounds and their therapeutic use Vereniging voor christelijk hoger onderwijs, wetenschappelijk onderzoek en patiëntenzorg (NL) 2009-07-08 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-20100298322-A1 Quinazolines and Related Heterocyclic Compounds, and Their Therapeutic Use RXFP3, RXFP1, NR1I3 DPP4 3351/4885ANPEP 2504/4885NR1H2 166/4885

“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.