SCHEMBL3755941

SCHEMBL3755941

NCCS(=O)(=O)Nc1ccc(I)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 10/20 0.57
CA2 P00918 10/20 0.57
IKBKB O14920 1/20 0.43
CHUK O15111 1/20 0.43
HPGD P15428 4/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CA12 O43570 8/20 0.39
CA9 Q16790 8/20 0.39
ITGA1 P56199 1/20 0.37
MAP2K1 Q02750 1/20 0.37
HTR6 P50406 1/20 0.37
CA4 P22748 5/20 0.35
CA7 P43166 5/20 0.35
KMT2A Q03164 1/20 0.35

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
Hydrochloric Acid SCHEMBL3759241 0.98 CA1 (0.55) CA1CA2IKBKBCHUKHPGD
SCHEMBL3763304 0.80 CA1 (0.54) CA1CA2IKBKBCHUKHPGD
Hydrochloric Acid SCHEMBL21633570 0.78 CA1 (0.52) CA1CA2IKBKBCHUKHPGD
SCHEMBL9762891 0.78 HPGD (0.59) CA1CA2HPGDLMNAHTT
SCHEMBL980565 0.78 CA1 (0.48) CA1CA2HPGDLMNAHTT
SCHEMBL981469 0.78 HPGD (0.64) CA1CA2HPGDLMNAHTT
SCHEMBL23693483 0.77 LMNA (0.47) CA1CA2IKBKBCHUKLMNA
SCHEMBL6402087 0.77 CA1 (0.61) CA1CA2HPGDLMNASMN1; SMN2
Hydrochloric Acid SCHEMBL21633755 0.75 KIF11 (0.59) CA1CA2CA12CA9CA4
SCHEMBL6665659 0.72 CA1 (0.50) CA1CA2HPGDLMNAHTT

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 7 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-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-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
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-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 CA1 1433/4885CA2 879/4885IKBKB 1494/4885

“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.