SCHEMBL5741875

SCHEMBL5741875

O=C(c1ccc(N2CCCCC2)cc1)C(Br)Br

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.56
ALDH1A1 P00352 5/20 0.56
HPGD P15428 3/20 0.56
ALOX15 P16050 3/20 0.56
L3MBTL1 Q9Y468 3/20 0.56
TDP1 Q9NUW8 1/20 0.56
NPC1 O15118 6/20 0.56
RAB9A P51151 6/20 0.56
SMN1; SMN2 Q16637 6/20 0.54
TP53 P04637 4/20 0.54
TSHR P16473 2/20 0.54
LMNA P02545 2/20 0.54
STAT1 P42224 1/20 0.54
HSD17B10 Q99714 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
HIF1A Q16665 2/20 0.54
KDM4E B2RXH2 4/20 0.53
MAPK1 P28482 2/20 0.53
CASP1 P29466 1/20 0.53
CASP7 P55210 1/20 0.53

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
SCHEMBL3235361 0.84 GSK3B (0.61) MAPTALDH1A1HPGDALOX15L3MBTL1
SCHEMBL18905169 0.82 HIF1A (0.54) MAPTALDH1A1HPGDALOX15L3MBTL1
SCHEMBL7907741 0.82 HIF1A (0.61) MAPTALDH1A1HPGDALOX15L3MBTL1
SCHEMBL15893978 0.80 HIF1A (0.58) MAPTALDH1A1HPGDALOX15L3MBTL1
SCHEMBL14982108 0.79 NPC1 (0.82) MAPTALDH1A1HPGDALOX15L3MBTL1
SCHEMBL2975193 0.79 NPC1 (0.82) MAPTALDH1A1HPGDALOX15L3MBTL1
SCHEMBL65682 0.77 ALDH1A1 (0.67) MAPTALDH1A1HPGDALOX15L3MBTL1
SCHEMBL17737071 0.77 ALDH1A1 (0.67) MAPTALDH1A1HPGDALOX15L3MBTL1
SCHEMBL13850382 0.77 ALDH1A1 (0.67) MAPTALDH1A1HPGDALOX15L3MBTL1
SCHEMBL14390605 0.77 HIF1A (0.56) MAPTALDH1A1HPGDALOX15L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1358169-A2 DIAMINOTHIAZOLES AND THEIR USE AS INHIBITORS OF CYCLIN-DEPENDENT KINASE F. HOFFMANN-LA ROCHE AG (CH) 2003-11-05 EP disclosed
US-20020151554-A1 Diaminothiazoles having antiproliferative activity CHEN LI (US) 2002-10-17 US disclosed
WO-2002057261-A2 DIAMINOTHIAZOLES AND THEIR USE AS INHIBITORS OF CYCLIN-DEPENDENT KINASE F. HOFFMANN-LA ROCHE AG (CH) 2002-07-25 WO disclosed
US-4971979-A Antiinflammatory agents RHONE-POULENC SANTE (FR) 1990-11-20 US disclosed
US-4886835-A ANTIINFLAMMATORY AGENTS RHONE-POULENC SANTE (FR) 1989-12-12 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 MAPT 3064/4885ALDH1A1 1009/4885HPGD 789/4885
US-20020151554-A1 Diaminothiazoles having antiproliferative activity CDK4, CDK2, CDKL4 MAPT 3064/4885ALDH1A1 1009/4885HPGD 789/4885
US-20040082595-A1 Intermediates useful in the preparation of diaminothiazoles CDK4, CDK2, CDKL4 MAPT 2939/4885ALDH1A1 858/4885HPGD 384/4885

“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.