SCHEMBL6189533

SCHEMBL6189533

Nc1nc(N)c(-c2nc(C(=O)c3ccccc3)cs2)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
CNR2 P34972 1/20 0.41
CCNA2 P20248 4/20 0.41
CDK2 P24941 4/20 0.41
HPGDS O60760 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 2/20 0.40
HTR2B P41595 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 2/20 0.40
NPC1 O15118 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40

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
SCHEMBL6191542 0.81 CCNA2 (0.46) CCNA2CDK2KMT2AMAPTALDH1A1
SCHEMBL3829101 0.79 KMT2A (0.50) CNR2CCNA2CDK2KMT2AMAPT
Hydrochloric Acid SCHEMBL27594585 0.77 KMT2A (0.49) CNR2CCNA2CDK2KMT2AMAPT
SCHEMBL1683594 0.77 HDAC1 (0.64) HDAC1HDAC8HDAC6HPGDSKMT2A
SCHEMBL6191028 0.75 CCNA2 (0.67) CCNA2CDK2KMT2AGSK3BCDK5
SCHEMBL16039880 0.72 CCNA2 (0.65) CCNA2CDK2KMT2AMAPTTDP1
SCHEMBL6190685 0.72 MAPT (0.62) KMT2AMAPTALDH1A1GAAMAPK1
SCHEMBL4455537 0.71 KMT2A (0.52) CNR2HPGDSKMT2AMAPTALDH1A1
SCHEMBL1669181 0.71 KMT2A (0.52) CNR2HPGDSKMT2AMAPTALDH1A1
SCHEMBL4455543 0.69 KMT2A (0.50) HDAC1HDAC8HDAC6CNR2HPGDS

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
EP-1181283-B1 DIAMINOTHIAZOLES AND THEIR USE FOR INHIBITING PROTEIN KINASES AGOURON PHARMA (US) 2005-02-02 EP disclosed
US-6620828-B2 Antiproliferative agents AGOURON PHARMACEUTICALS, INC. 2003-09-16 US disclosed
US-20020025976-A1 Thiazole compounds and pharmaceutical compositions for inhibiting protein kinases and methods for their use AGOURON PHARMACEUTICALS, INC. 2002-02-28 US disclosed
EP-1181283-A1 DIAMINOTHIAZOLES AND THEIR USE FOR INHIBITING PROTEIN KINASES AGOURON PHARMACEUTICALS, INC. (US) 2002-02-27 EP disclosed
WO-2000075120-A1 DIAMINOTHIAZOLES AND THEIR USE FOR INHIBITING PROTEIN KINASES AGOURON PHARMACEUTICALS, INC. (US) 2000-12-14 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 (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-20020025976-A1 Thiazole compounds and pharmaceutical compositions for inhibiting protein kinases and methods for their use BRAF, CDK2, CHUK HDAC1 1492/4885HDAC8 2520/4885HDAC6 1577/4885

“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.