SCHEMBL4239016

SCHEMBL4239016

N=C(N)c1ccccc1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.44
F10 P00742 1/20 0.44
F12 P00748 1/20 0.44
F7 P08709 1/20 0.44
F3 P13726 1/20 0.44
PKM P14618 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
BLM P54132 1/20 0.42
MIF P14174 1/20 0.42
KMT2A Q03164 4/20 0.41
C1S P09871 2/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
RECQL P46063 1/20 0.41
MEN1 O00255 2/20 0.40
CTSL P07711 1/20 0.39
POLB P06746 2/20 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
Hydrochloric Acid SCHEMBL1034550 0.98 BLM (0.46) F2F10F12F7F3
SCHEMBL7863179 0.82 ALDH1A1 (0.41) F2F10F12F7F3
SCHEMBL8887730 0.82 TSHR (0.53) MIFKMT2AMEN1POLBALDH1A1
SCHEMBL10495281 0.81 F2 (0.55) F2F10F12F7F3
SCHEMBL6957591 0.79 ALDH1A1 (0.40) L3MBTL1NPC1RAB9AMIFKMT2A
Hydrochloric Acid SCHEMBL29008442 0.78 BLM (0.57) F2F10F12F7F3
Hydrochloric Acid SCHEMBL28555632 0.78 BLM (0.57) F2F10F12F7F3
SCHEMBL4509521 0.78 C1S (0.39) F2F10F12F7F3
SCHEMBL23978028 0.75 NPC1 (0.41) L3MBTL1NPC1RAB9AKMT2AMEN1
SCHEMBL2554580 0.75 L3MBTL1 (0.48) L3MBTL1NPC1RAB9AKMT2AMEN1

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108084110-A 3- amino benzo [d] isothiazole, derivative and its synthetic method 湘潭大学 2018-05-29 CN claimed
EP-0103126-B1 PROCESS FOR PREPARING 4-AMINO-5-DIALKOXYMETHYLPYRIMIDINE DERIVATIVES UBE INDUSTRIES, LTD. (JP) 1987-03-04 EP claimed
US-4492792-A Process for preparing 4-amino-5-dialkoxy-methylpyrimidine derivatives UBE INDUSTRIES, LTD. (JP) 1985-01-08 US claimed
EP-0103126-A1 Process for preparing 4-amino-5-dialkoxymethylpyrimidine derivatives UBE INDUSTRIES, LTD. (JP) 1984-03-21 EP claimed
US-11737349-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2023-08-22 US disclosed
US-11737349-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2023-08-22 US disclosed
CN-108084110-B 3-aminobenzo [ d ] isothiazole, derivative and synthetic method thereof 湘潭大学 2021-05-07 CN disclosed
EP-3750897-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES Universal Display Corporation (US) 2020-12-16 EP disclosed
CN-109468659-A The method of room temperature synthesizing benzimidazole under the conditions of electrocatalytic method water phase 云南师范大学 2019-03-15 CN disclosed
CN-109456273-A The method of benzenecarboximidamide class compound synthesis benzimidazole compound is used in microwave method water phase 云南师范大学 2019-03-12 CN disclosed
CN-108997194-A A kind of synthetic method of amino isoindole derivatives 温州大学 2018-12-14 CN disclosed
CN-108084110-A 3- amino benzo [d] isothiazole, derivative and its synthetic method 湘潭大学 2018-05-29 CN disclosed
WO-2011151434-A1 NOVEL COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2011-12-08 WO disclosed
US-20090131424-A1 THIAZOLYL-DIHYDRO-CHINAZOLINE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-21 US disclosed
EP-2007772-A1 THIAZOLYL-DIHYDROQUINAZOLINES Boehringer Ingelheim International GmbH (DE) 2008-12-31 EP disclosed
WO-2007115932-A1 THIAZOLYL-DIHYDROQUINAZOLINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-18 WO disclosed
US-20070238746-A1 THIAZOLYL-DIHYDRO-CHINAZOLINE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-11 US disclosed
EP-0103126-B1 PROCESS FOR PREPARING 4-AMINO-5-DIALKOXYMETHYLPYRIMIDINE DERIVATIVES UBE INDUSTRIES, LTD. (JP) 1987-03-04 EP disclosed
US-4492792-A Process for preparing 4-amino-5-dialkoxy-methylpyrimidine derivatives UBE INDUSTRIES, LTD. (JP) 1985-01-08 US disclosed
EP-0103126-A1 Process for preparing 4-amino-5-dialkoxymethylpyrimidine derivatives UBE INDUSTRIES, LTD. (JP) 1984-03-21 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-11737349-B2 Organic electroluminescent materials and devices OCIAD2, OCIAD1, OTC F2 2272/4885F10 3040/4885F12 4526/4885
US-20070238746-A1 THIAZOLYL-DIHYDRO-CHINAZOLINE CYP3A7, UGT2B7, UGT1A7 F2 2981/4885F10 4094/4885F12 1219/4885
US-20090131424-A1 THIAZOLYL-DIHYDRO-CHINAZOLINE CYP3A7, UGT2B7, UGT1A7 F2 2981/4885F10 4094/4885F12 1219/4885

“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.