SCHEMBL3672267

SCHEMBL3672267

Clc1cc(Cl)c2c(Cl)nc(Cl)nc2c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
PIK3R1 P27986 1/20 0.34
PIK3CA P42336 1/20 0.34
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
RECQL P46063 1/20 0.32
HSD17B10 Q99714 1/20 0.32
NR4A2 P43354 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
AHR P35869 1/20 0.31
MEN1 O00255 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
BCHE P06276 1/20 0.30
ACHE P22303 1/20 0.30

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
SCHEMBL29909484 0.79 PDE2A (0.30)
SCHEMBL23577002 0.79 PDE2A (0.30)
SCHEMBL28130489 0.79 HTT (0.33)
SCHEMBL26998831 0.77 ALDH1A1 (0.38) ALDH1A1PIK3R1PIK3CACYP3A4TSHR
SCHEMBL3337344 0.74 PARP1 (0.44) TDP1BCHEACHE
SCHEMBL30013654 0.74 PARP1 (0.44) TDP1BCHEACHE
SCHEMBL30679217 0.73 ALDH1A1 (0.32) ALDH1A1TSHR
SCHEMBL6871151 0.71 NT5E (0.46) ALDH1A1HSD17B10HPGDSMN1; SMN2L3MBTL1
SCHEMBL11104609 0.71 CYP3A4 (0.36) ALDH1A1PIK3R1PIK3CACYP3A4TSHR
SCHEMBL25481904 0.70 PDE4A (0.42) ALDH1A1PIK3R1PIK3CACYP3A4TSHR

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 12 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
EP-0760819-B1 TRICYCLIC DICARBONYL DERIVATIVES HOFFMANN LA ROCHE (CH) 2000-07-19 EP disclosed
CN-1044245-C Tricyclic Dicarbonyl derivatives HAFFMANN LA ROCHE AG F (DE) 1999-07-21 CN disclosed
US-5688803-A BRAIN DISORDERS; PSYCHOLOGICAL DISORDERS HOFFMANN-LA ROCHE INC. (US) 1997-11-18 US disclosed
CN-1149295-A Tricyclic Dicarbonyl derivatives HOFFMANN LA ROCHE (CH) 1997-05-07 CN disclosed
EP-0760819-A1 TRICYCLIC DICARBONYL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1997-03-12 EP disclosed
WO-1995032205-A1 TRICYCLIC DICARBONYL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1995-11-30 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 (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 ALDH1A1 3725/4885PIK3R1 1854/4885PIK3CA 4067/4885

“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.