SCHEMBL6192039

SCHEMBL6192039

Nc1nc(Nc2ccc(OCCN3CCCC3)cc2)sc1C(=O)c1ccc(O)c(F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
NPC1 O15118 2/20 0.52
TUBB8B A6NNZ2 1/20 0.51
TUBB4A P04350 1/20 0.51
TUBB P07437 1/20 0.51
TUBB4B P68371 1/20 0.51
TUBB3 Q13509 1/20 0.51
TUBB2A Q13885 1/20 0.51
TUBB8 Q3ZCM7 1/20 0.51
TUBB6 Q9BUF5 1/20 0.51
TUBB2B Q9BVA1 1/20 0.51
TUBB1 Q9H4B7 1/20 0.51
SPHK2 Q9NRA0 1/20 0.51
SPHK1 Q9NYA1 1/20 0.51
ZAP70 P43403 1/20 0.51
ESR1 P03372 2/20 0.49
ESR2 Q92731 2/20 0.49
CCNA2 P20248 7/20 0.47
CDK2 P24941 7/20 0.47

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
SCHEMBL6190283 0.90 ZAP70 (0.53) MEN1KMT2ANPC1TUBB8BTUBB4A
SCHEMBL6190983 0.89 ZAP70 (0.53) MEN1KMT2ANPC1TUBB8BTUBB4A
SCHEMBL6192444 0.87 CCNA2 (0.63) MEN1KMT2ANPC1TUBB8BTUBB4A
SCHEMBL6191987 0.87 ZAP70 (0.52) MEN1KMT2ANPC1TUBB8BTUBB4A
SCHEMBL6194144 0.84 CDK4 (0.58) MEN1KMT2ANPC1TUBB8BTUBB4A
SCHEMBL6754438 0.84 ZAP70 (0.73) MEN1KMT2ANPC1TUBB8BTUBB4A
SCHEMBL6190443 0.84 ZAP70 (0.60) MEN1KMT2ANPC1TUBB8BTUBB4A
SCHEMBL6194139 0.84 CCNA2 (0.62) TUBB8BTUBB4ATUBBTUBB4BTUBB3
SCHEMBL6184653 0.83 MEN1 (0.48) MEN1KMT2ANPC1TUBB8BTUBB4A
SCHEMBL6192359 0.83 ZAP70 (0.61) MEN1KMT2ANPC1TUBB8BTUBB4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1507530-B1 DIAMINOTHIAZOLES AND USE THEREOF AS CDK4 INHIBITORS HOFFMANN LA ROCHE (CH) 2005-11-02 EP claimed
US-6818663-B2 AS INHIBITORS OF CYCLIN-DEPENDENT KINASE 4 (CDK4); ANTIPROLIFERATIVE AGENTS; FOR THERAPY OF CANCER, TUMORS HOFFMANN-LA ROCHES 2004-11-16 US claimed
US-20040006058-A1 DIAMINOTHIAZOLES CHU XIN-JIE (US) 2004-01-08 US claimed
EP-1507530-B1 DIAMINOTHIAZOLES AND USE THEREOF AS CDK4 INHIBITORS HOFFMANN LA ROCHE (CH) 2005-11-02 EP disclosed
US-6818663-B2 AS INHIBITORS OF CYCLIN-DEPENDENT KINASE 4 (CDK4); ANTIPROLIFERATIVE AGENTS; FOR THERAPY OF CANCER, TUMORS HOFFMANN-LA ROCHES 2004-11-16 US disclosed
US-20040006058-A1 DIAMINOTHIAZOLES CHU XIN-JIE (US) 2004-01-08 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-20040006058-A1 DIAMINOTHIAZOLES CDK4, CDK1, CDK2 MEN1 1597/4885KMT2A 518/4885NPC1 4619/4885

“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.