SCHEMBL8031390

SCHEMBL8031390

Brc1cnc(-c2cccnc2)s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.54
CYP2A6 P11509 8/20 0.53
CYP3A4 P08684 3/20 0.50
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
CYP1A2 P05177 1/20 0.50
SNCA P37840 1/20 0.49
CYP19A1 P11511 3/20 0.48
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
AXL P30530 1/20 0.46
PBRM1 Q86U86 1/20 0.46
MKNK1 Q9BUB5 1/20 0.46
MKNK2 Q9HBH9 1/20 0.46
ALOX5 P09917 1/20 0.45
CYP2E1 P05181 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2B6 P20813 2/20 0.45
CYP2D6 P10635 1/20 0.44

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
SCHEMBL12279413 0.81 HPGDS (0.71) HPGDSCYP2A6CYP3A4ALDH1A1KDM4E
SCHEMBL928439 0.80 SNCA (0.55) HPGDSALDH1A1KDM4ESMN1; SMN2CYP1A2
SCHEMBL2498473 0.79 SNCA (0.53) CYP3A4ALDH1A1KDM4ESMN1; SMN2CYP1A2
SCHEMBL16601901 0.78 KDM4E (0.59) HPGDSCYP2A6CYP3A4ALDH1A1KDM4E
SCHEMBL2820252 0.78 HPGDS (0.54) HPGDSCYP2A6CYP3A4ALDH1A1KDM4E
SCHEMBL15090524 0.77 SNCA (0.56) HPGDSALDH1A1KDM4ESMN1; SMN2CYP1A2
Hydrochloric Acid SCHEMBL17101469 0.76 KDM4E (0.57) HPGDSCYP2A6CYP3A4ALDH1A1KDM4E
SCHEMBL7862948 0.76 SNCA (0.50) HPGDSCYP2A6SNCA
SCHEMBL255577 0.76 KDM4E (0.66) CYP2A6CYP3A4ALDH1A1KDM4ESMN1; SMN2
SCHEMBL30803985 0.76 KDM4E (0.66) CYP2A6CYP3A4ALDH1A1KDM4ESMN1; SMN2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117561252-A 2- [3- [1[ (quinazolin-4-yl) amino ] ethyl ] pyrazin-2-yl ] thiazole-5-carbonitrile derivatives and similar compounds as pesticides 先正达农作物保护股份公司 2024-02-13 CN disclosed
US-20150166528-A1 Pesticidal methods using substituted 3-pyridyl thiazole compounds and derivatives for combating animal pests BASF SE (DE) 2015-06-18 US disclosed
US-20150166528-A1 Pesticidal methods using substituted 3-pyridyl thiazole compounds and derivatives for combating animal pests BASF SE (DE) 2015-06-18 US disclosed
CN-1343215-A 6-O-substituted macrolides with antibacterial activity ABBOTT LAB (US) 2002-04-03 CN disclosed
US-6054435-A 6-O-substituted macrolides having antibacterial activity ABBOTT LABORATORIES (US) 2000-04-25 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 (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-20150166528-A1 Pesticidal methods using substituted 3-pyridyl thiazole compounds and derivatives for combating animal pests PTMS, PDXK, TH HPGDS 2618/4885CYP2A6 1875/4885CYP3A4 933/4885

“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.