SCHEMBL5742840

SCHEMBL5742840

Nc1nc(Nc2ccc(N3CCNCC3)cc2)sc1C(=O)c1cccc(OC(F)(F)F)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 7/20 0.64
CCND1 P24385 7/20 0.64
CCNT1 O60563 5/20 0.56
CDK9 P50750 5/20 0.56
CDK6 Q00534 5/20 0.56
CDK11A Q9UQ88 5/20 0.56
CCNA2 P20248 5/20 0.55
CDK2 P24941 5/20 0.55
CDK5 Q00535 7/20 0.55
CDK5R1 Q15078 6/20 0.55
ZAP70 P43403 1/20 0.53
MAPT P10636 1/20 0.51
LTK P29376 1/20 0.50
CLK2 P49760 1/20 0.50
GSK3A P49840 1/20 0.50
GSK3B P49841 1/20 0.50
CDK7 P50613 1/20 0.50
LIMK1 P53667 1/20 0.50
PRKCQ Q04759 1/20 0.50
TAOK1 Q7L7X3 1/20 0.50

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
SCHEMBL5743097 0.92 CDK4 (0.68) CDK4CCND1CCNT1CDK9CDK6
SCHEMBL5741249 0.90 CDK4 (0.71) CDK4CCND1CCNT1CDK9CDK6
SCHEMBL5743018 0.88 CDK4 (0.83) CDK4CCND1CCNT1CDK9CDK6
SCHEMBL5743992 0.86 CCNA2 (0.68) CDK4CCND1CCNT1CDK9CDK6
SCHEMBL5744164 0.81 CDK4 (0.74) CDK4CCND1CCNT1CDK9CDK6
SCHEMBL5743331 0.81 CDK4 (0.59) CDK4CCND1CCNT1CDK9CDK6
SCHEMBL5742043 0.80 CDK4 (0.66) CDK4CCND1CCNT1CDK9CDK6
SCHEMBL5742172 0.80 CDK4 (0.82) CDK4CCND1CCNT1CDK9CDK6
SCHEMBL5743411 0.80 CDK4 (0.87) CDK4CCND1CCNT1CDK9CDK6
SCHEMBL5744023 0.79 TUBB8B (0.61) CDK4CCND1CCNT1CDK9CDK6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1358169-B1 DIAMINOTHIAZOLES AND THEIR USE AS INHIBITORS OF CYCLIN-DEPENDENT KINASE HOFFMANN LA ROCHE (CH) 2006-01-11 EP claimed
US-6756374-B2 CYCLIN-DEPENDENT KINASE INHIBITORS SUCH AS (4-AMINO-2-((4-(4-METHYL-1-PIPERAZINYL)PHENYL)AMINO)-5-THIAZOLYL) (2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)METHANONE FOR TREATMENT OF BREAST, LUNG, COLON, AND PROSTATE CANCER/TUMORS HOFFMANN-LA ROCHE INC. 2004-06-29 US claimed
US-20020151554-A1 Diaminothiazoles having antiproliferative activity CHEN LI (US) 2002-10-17 US claimed
US-7105670-B2 Intermediates useful in the preparation of diaminothiazoles HOFFMANN-LA ROCHE INC. (US) 2006-09-12 US disclosed
US-7094896-B2 Diaminothiazoles having antiproliferative activity HOFFMANN-LA ROCHE INC. (US) 2006-08-22 US disclosed
EP-1358169-B1 DIAMINOTHIAZOLES AND THEIR USE AS INHIBITORS OF CYCLIN-DEPENDENT KINASE HOFFMANN LA ROCHE (CH) 2006-01-11 EP disclosed
US-6756374-B2 CYCLIN-DEPENDENT KINASE INHIBITORS SUCH AS (4-AMINO-2-((4-(4-METHYL-1-PIPERAZINYL)PHENYL)AMINO)-5-THIAZOLYL) (2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)METHANONE FOR TREATMENT OF BREAST, LUNG, COLON, AND PROSTATE CANCER/TUMORS HOFFMANN-LA ROCHE INC. 2004-06-29 US disclosed
US-20040087594-A1 Diaminothiazoles having antiproliferative activity DING QINGJIE (US) 2004-05-06 US disclosed
US-20040082595-A1 Intermediates useful in the preparation of diaminothiazoles DING QINGJIE (US) 2004-04-29 US disclosed
US-20020151554-A1 Diaminothiazoles having antiproliferative activity CHEN LI (US) 2002-10-17 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 (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-20040087594-A1 Diaminothiazoles having antiproliferative activity CDK4, CDK2, CDKL4 CDK4 1/4885CCND1 34/4885CCNT1 31/4885
US-20020151554-A1 Diaminothiazoles having antiproliferative activity CDK4, CDK2, CDKL4 CDK4 1/4885CCND1 34/4885CCNT1 31/4885
US-20040082595-A1 Intermediates useful in the preparation of diaminothiazoles CDK4, CDK2, CDKL4 CDK4 1/4885CCND1 39/4885CCNT1 26/4885

“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.