SCHEMBL3666779

SCHEMBL3666779

O=c1[nH]c(=O)c2cc(I)ccc2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.54
CA9 Q16790 3/20 0.54
KDM4E B2RXH2 2/20 0.53
PARP1 P09874 2/20 0.53
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PARG Q86W56 1/20 0.43
PDE3A Q14432 3/20 0.41
NAPEPLD Q6IQ20 1/20 0.40
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39
TUBB3 Q13509 1/20 0.39
TUBB2A Q13885 1/20 0.39
TUBB8 Q3ZCM7 1/20 0.39
TUBA3E Q6PEY2 1/20 0.39

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
SCHEMBL4174954 0.84 PARP1 (0.53) CA12CA9KDM4EPARP1ALDH1A1
SCHEMBL3348374 0.79 GAA (0.48) KDM4EALDH1A1PDE3APDE3B
SCHEMBL4610600 0.76 PARP1 (0.62) CA12CA9KDM4EPARP1ALDH1A1
SCHEMBL2255076 0.76 ALDH1A1 (0.56) CA12CA9KDM4EPARP1ALDH1A1
SCHEMBL8060610 0.76 CA12 (0.54) CA12CA9KDM4EPARP1ALDH1A1
SCHEMBL17434450 0.76 CA12 (0.54) CA12CA9KDM4EPARP1ALDH1A1
SCHEMBL404118 0.76 PARP1 (0.56) CA12CA9KDM4EPARP1ALDH1A1
SCHEMBL182445 0.76 JAK2 (0.60) CA12CA9KDM4EPARP1ALDH1A1
SCHEMBL1383605 0.76 CA12 (0.54) CA12CA9KDM4EPARP1ALDH1A1
SCHEMBL14409799 0.76 CA12 (0.54) CA12CA9KDM4EPARP1ALDH1A1

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 34 patents — showing the first 20. 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-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 US disclosed
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 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-2241565-A1 Aurora kinase inhibitors compounds Universität Leipzig (DE) 2010-10-20 EP 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-2010081881-A1 AURORA KINASE INHIBITORS COMPOUNDS. UNIVERSITÄT LEIPZIG (DE) 2010-07-22 WO 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
US-20020025968-A1 Method for inhibiting neoplastic cells and related conditions by exposure to 4-aminoquinazoline derivatives OSI PHARMACEUTICALS, INC. 2002-02-28 US disclosed
EP-0579496-B1 4-Aminoquinazoline derivatives, and their use as medicine ONO PHARMACEUTICAL CO (JP) 2001-11-14 EP disclosed
CN-1303281-A Application of compound in enhancing activity of pyruvate dehydrogenase ASTRA ZENECA LTD (SE) 2001-07-11 CN disclosed
EP-1082110-A1 USE OF COMPOUNDS FOR THE ELEVATION OF PYRUVATE DEHYDROGENASE ACTIVITY AstraZeneca AB (SE) 2001-03-14 EP disclosed
EP-1003853-A1 METHODS FOR PROTEIN SCREENING Biovation Limited (GB) 2000-05-31 EP disclosed
WO-1999062506-A1 USE OF COMPOUNDS FOR THE ELEVATION OF PYRUVATE DEHYDROGENASE ACTIVITY ASTRAZENECA AB (SE) 1999-12-09 WO disclosed
WO-1999011777-A1 METHODS FOR PROTEIN SCREENING BIOVATION LIMITED (GB) 1999-03-11 WO disclosed
US-5439895-A Cardiovascular disorders; inhibitor of thromboxane A2 synthetase and cyclic guanosine 3',5'-monophosphate ONO PHARMACEUTICAL CO., LTD. (JP) 1995-08-08 US disclosed
US-5436233-A Nervous system disorders ONO PHARMACEUTICAL CO., LTD. (JP) 1995-07-25 US disclosed
EP-0579496-A1 4-Aminoquinazoline derivatives, and their use as medicine ONO PHARMACEUTICAL CO., LTD. (JP) 1994-01-19 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 (3 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 CA12 1159/4885CA9 861/4885KDM4E 3142/4885
US-20020025968-A1 Method for inhibiting neoplastic cells and related conditions by exposure to 4-aminoquinazoline derivatives VHL, MCL1, NFATC1 CA12 3808/4885CA9 2731/4885KDM4E 1236/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 CA12 1302/4885CA9 1399/4885KDM4E 1897/4885

“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.