SCHEMBL1679638

SCHEMBL1679638

Cc1nc(-c2cccnc2)sc1Br

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 7/20 0.58
CYP1A2 P05177 5/20 0.58
CYP2C19 P33261 4/20 0.58
LMNA P02545 1/20 0.58
CYP2A6 P11509 4/20 0.53
CYP2C9 P11712 3/20 0.53
CYP2E1 P05181 2/20 0.53
CYP2B6 P20813 2/20 0.53
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
ALOX5 P09917 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CYP2D6 P10635 2/20 0.48
CYP19A1 P11511 3/20 0.46
KDM4E B2RXH2 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
AXL P30530 1/20 0.46
PBRM1 Q86U86 1/20 0.46
MKNK1 Q9BUB5 1/20 0.46

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
SCHEMBL266592 0.83 CYP3A4 (0.61) CYP3A4CYP1A2CYP2C19LMNACYP2A6
SCHEMBL12278149 0.81 CYP3A4 (0.60) CYP3A4CYP1A2CYP2C19LMNACYP2A6
SCHEMBL1460907 0.80 SMN1; SMN2 (0.56) CYP1A2LMNACYP2C9NPC1RAB9A
SCHEMBL290740 0.80 CYP3A4 (0.62) CYP3A4CYP1A2CYP2C19LMNACYP2A6
SCHEMBL2726007 0.80 CYP3A4 (0.53) CYP3A4CYP1A2CYP2C19LMNACYP2A6
SCHEMBL14141735 0.80 RAB9A (0.51) CYP3A4CYP1A2CYP2C19LMNACYP2A6
SCHEMBL17590206 0.80 CYP3A4 (0.58) CYP3A4CYP1A2CYP2C19LMNACYP2A6
SCHEMBL290778 0.79 CYP3A4 (0.59) CYP3A4CYP1A2CYP2C19LMNACYP2A6
SCHEMBL13990558 0.78 CYP3A4 (0.56) CYP3A4CYP1A2CYP2C19LMNACYP2A6
SCHEMBL10022396 0.78 CYP3A4 (0.56) CYP3A4CYP1A2CYP2C19LMNACYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107001349-B Herbicidal pyrido/pyrimidothiazoles 先正达参股股份有限公司 2021-07-02 CN disclosed
US-20200253208-A1 HERBICIDAL PYRIDINO-/PYRIMIDINO-THIAZOLES SYNGENTA PARTICIPATIONS AG (CH) 2020-08-13 US disclosed
US-20170290337-A1 Herbicidal Pyridino-/Pyrimidino-Thiazoles SYNGENTA PARTICIPATIONS AG (CH) 2017-10-12 US disclosed
US-20170290337-A1 Herbicidal Pyridino-/Pyrimidino-Thiazoles SYNGENTA PARTICIPATIONS AG (CH) 2017-10-12 US disclosed
US-9451775-B2 Heterocyclic compounds as pesticides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-09-27 US disclosed
US-9451775-B2 Heterocyclic compounds as pesticides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-09-27 US disclosed
US-9451775-B2 Heterocyclic compounds as pesticides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-09-27 US disclosed
EP-3033342-A1 ANNELATED PYRROLES AND THEIR USE AS CRAC INHIBITORS Grünenthal GmbH (DE) 2016-06-22 EP disclosed
US-20160151337-A1 ANNELATED PYRROLES AND THEIR USE AS CRAC INHIBITORS GRUENENTHAL GMBH (DE) 2016-06-02 US disclosed
US-20160151337-A1 ANNELATED PYRROLES AND THEIR USE AS CRAC INHIBITORS GRUENENTHAL GMBH (DE) 2016-06-02 US disclosed
EP-2583556-A1 Heterocyclic compounds as pest controllers Bayer CropScience AG (DE) 2013-04-24 EP disclosed
EP-2583556-A1 Heterocyclic compounds as pest controllers Bayer CropScience AG (DE) 2013-04-24 EP disclosed
EP-2583557-A1 Heterocyclic compounds as pest controllers Bayer CropScience AG (DE) 2013-04-24 EP disclosed
US-20110212949-A1 Heterocyclic Compounds as Pesticides BAYER CROPSCIENCE AG 2011-09-01 US disclosed
US-20110212949-A1 Heterocyclic Compounds as Pesticides BAYER CROPSCIENCE AG 2011-09-01 US disclosed
US-20110212949-A1 Heterocyclic Compounds as Pesticides BAYER CROPSCIENCE AG 2011-09-01 US disclosed
CN-102159079-A Heterocyclic compounds useful as pesticides BAYER CROPSCIENCE AG 2011-08-17 CN disclosed
EP-2309857-A2 HETEROCYCLIC COMPOUNDS USED AS PESTICIDES Bayer CropScience AG (DE) 2011-04-20 EP disclosed
WO-2010006713-A2 HETEROCYCLIC COMPOUNDS USED AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2010-01-21 WO disclosed
WO-2010006713-A2 HETEROCYCLIC COMPOUNDS USED AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2010-01-21 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 (4 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-20170290337-A1 Herbicidal Pyridino-/Pyrimidino-Thiazoles PDXK, PLPBP, DDT CYP3A4 716/4885CYP1A2 136/4885CYP2C19 406/4885
US-20110212949-A1 Heterocyclic Compounds as Pesticides DDT, ACHE, PTMS CYP3A4 72/4885CYP1A2 73/4885CYP2C19 355/4885
US-20200253208-A1 HERBICIDAL PYRIDINO-/PYRIMIDINO-THIAZOLES PDXK, PLPBP, DDT CYP3A4 716/4885CYP1A2 136/4885CYP2C19 406/4885
US-20160151337-A1 ANNELATED PYRROLES AND THEIR USE AS CRAC INHIBITORS AADAC, PRRC2C, PRRC2A CYP3A4 1775/4885CYP1A2 1732/4885CYP2C19 1830/4885

“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.