SCHEMBL3328381

SCHEMBL3328381

N=C(N)c1cc(I)ccc1F

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 10/20 0.40
MAP2K2 P36507 8/20 0.40
F10 P00742 4/20 0.34
F2 P00734 2/20 0.34
PLAU P00749 2/20 0.34
PLAT P00750 2/20 0.34
PLG P00747 1/20 0.34
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
ANO1 Q5XXA6 1/20 0.32
KLKB1 P03952 1/20 0.31
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
F7 P08709 1/20 0.31
PRSS3 P35030 1/20 0.31
LMNA P02545 1/20 0.30
SLC22A2 O15244 1/20 0.30
SLC22A1 O15245 1/20 0.30
SLC22A3 O75751 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
SCHEMBL1477485 0.79 MAP2K1 (0.54) MAP2K1MAP2K2CES2CES1ANO1
SCHEMBL4426660 0.78 CES2 (0.56) F10CES2CES1
SCHEMBL2199382 0.77 LMNA (0.45) F10F2PLAUPLATPLG
Hydrochloric Acid SCHEMBL1367092 0.77 CES2 (0.54) CES2CES1LMNA
SCHEMBL16079251 0.75 DGAT1 (0.50) F10F2PLAUPLATCES2
SCHEMBL10143059 0.75 PRSS1 (0.40) MAP2K1MAP2K2F10F2PLAU
SCHEMBL3334057 0.75 HTR3E (0.35) F10F2PLAUPLATANO1
SCHEMBL78403 0.72 MAP2K1 (0.53) MAP2K1MAP2K2CES2CES1ANO1
SCHEMBL17826825 0.72 ERN1 (0.36) MAP2K1MAP2K2F10F2PLAU
SCHEMBL1306850 0.71 ALDH1A1 (0.52) MAP2K1MAP2K2CES2CES1ANO1

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-2018385-B1 THIAZOLYL-DIHYDROQUINAZOLINES BOEHRINGER INGELHEIM INT (DE) 2013-05-15 EP disclosed
US-8334378-B2 Thiazolyl-dihydro-quinazoline compounds and processes for preparing same BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-18 US disclosed
US-20100145041-A1 Thiazolyl-dihydro-quinazoline compounds and processes for preparing same BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-06-10 US disclosed
US-7691868-B2 N-{8-[2-chloro-5-(3-methylamino-prop-1-ynyl)-phenyl]-4,5-dihydro-thiazolo[4,5-h]quinazolin-2-yl}-acetamide; PI3-kinase modulators for the treatment of inflammatory or allergic diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-06 US disclosed
EP-2018385-A1 THIAZOLYL-DIHYDROQUINAZOLINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-01-28 EP disclosed
WO-2007115929-A1 THIAZOLYL-DIHYDROQUINAZOLINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-18 WO disclosed
US-20070244104-A1 THIAZOLYL-DIHYDRO-QUINAZOLINE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-18 US 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-20100145041-A1 Thiazolyl-dihydro-quinazoline compounds and processes for preparing same QDPR, NQO2, DHPS MAP2K1 2418/4885MAP2K2 2045/4885F10 2444/4885
US-20070244104-A1 THIAZOLYL-DIHYDRO-QUINAZOLINE QDPR, NQO2, CYP3A4 MAP2K1 3517/4885MAP2K2 3221/4885F10 2794/4885

“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.