SCHEMBL5519087

SCHEMBL5519087

CN(C)c1ccc(OC(=O)NN)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.57
ALDH1A1 P00352 6/20 0.57
KDM4E B2RXH2 3/20 0.57
MEN1 O00255 1/20 0.57
THRB P10828 1/20 0.57
GFER P55789 1/20 0.57
KMT2A Q03164 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TP53 P04637 2/20 0.47
ESR2 Q92731 1/20 0.47
NOX1 Q9Y5S8 1/20 0.47
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
HPGD P15428 3/20 0.44
MCL1 Q07820 2/20 0.43

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
SCHEMBL11797515 0.83 ALDH1A1 (0.58) MAPTALDH1A1KDM4EMEN1THRB
SCHEMBL27853710 0.79 CA1 (0.60) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL6613749 0.79 LMNA (0.57) MAPTALDH1A1KDM4EKMT2ATDP1
SCHEMBL9645558 0.79 ALDH1A1 (0.49) MAPTALDH1A1KDM4EMEN1THRB
SCHEMBL7143263 0.78 KMT2A (0.46) MAPTALDH1A1KDM4EMEN1THRB
SCHEMBL2170993 0.76 LMNA (0.59) MAPTALDH1A1KDM4EMEN1THRB
SCHEMBL11841636 0.76 MAPT (0.56) MAPTALDH1A1KDM4EMEN1THRB
SCHEMBL5513692 0.76 TDP1 (0.58) MAPTALDH1A1KDM4ETHRBGFER
SCHEMBL5516916 0.76 GAA (0.58) MAPTALDH1A1KDM4EMEN1THRB
Hydrochloric Acid SCHEMBL11841634 0.75 MAPT (0.54) MAPTALDH1A1KDM4EMEN1THRB

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-7250435-B2 Acylsemicarbazides as cyclin dependent kinase inhibitors useful as anti-cancer and anti-proliferative agents BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2007-07-31 US disclosed
US-20050261353-A1 Acylsemicarbazides as cyclin dependent kinase inhibitors useful as anti-cancer and anti-proliferative agents BRISTOL-MYERS SQUIBB PHARMA COMPANY 2005-11-24 US disclosed
EP-1417177-A4 ACYLSEMICARBAZIDES AS CYCLIN DEPENDENT KINASE INHIBITORS USEFUL AS ANTI-CANCER AND ANTI-PROLIFERATIVE AGENTS BRISTOL MYERS SQUIBB PHARMA CO (US) 2005-10-19 EP disclosed
EP-1417177-A2 ACYLSEMICARBAZIDES AS CYCLIN DEPENDENT KINASE INHIBITORS USEFUL AS ANTI-CANCER AND ANTI-PROLIFERATIVE AGENTS Bristol-Myers Squibb Pharma Company (US) 2004-05-12 EP disclosed
EP-1414804-A1 ACYLSEMICARBAZIDES AND THEIR USE AS CYCLIN DEPENDENT KINASE (CDK) INHIBITORS Bristol-Myers Squibb Pharma Company (US) 2004-05-06 EP disclosed
US-20040048844-A1 Acylsemicarbazides as cyclin dependent kinase inhibitors useful as anti-cancer and anti-proliferative agents BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-03-11 US disclosed
US-6593356-B2 The present invention relates to the synthesis of a new class of indeno(1,2-c)pyrazol-4-ones of formula (I): that are potent inhibitors of the class of enzymes known as cyclin dependent kinases, which relate to the catalytic subunits cdk1-7 and the BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-07-15 US disclosed
US-20030073686-A1 Acylsemicarbazides as cyclin dependent kinase inhibitors useful as anti-cancer and anti-proliferative agents BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-04-17 US disclosed
WO-2003007883-A2 ACYLSEMICARBAZIDES AS CYCLIN DEPENDENT KINASE INHIBITORS USEFUL AS ANTI-CANCER AND ANTI-PROLIFERATIVE AGENTS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2003-01-30 WO disclosed
WO-2002034721-A1 ACYLSEMICARBAZIDES AND THEIR USE AS CYCLIN DEPENDENT KINASE (CDK) INHIBITORS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-05-02 WO disclosed
US-6291504-B1 POTENT INHIBITORS OF THE CLASS OF ENZYMES KNOWN AS CYCLIN DEPENDENT KINASES DUPONT PHARMACEUTICALS COMPANY 2001-09-18 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-20030073686-A1 Acylsemicarbazides as cyclin dependent kinase inhibitors useful as anti-cancer and anti-proliferative agents CDK1, CCNA1, CDK17 MAPT 4802/4885ALDH1A1 1533/4885KDM4E 999/4885
US-20050261353-A1 Acylsemicarbazides as cyclin dependent kinase inhibitors useful as anti-cancer and anti-proliferative agents CDK1, CDK17, CDK7 MAPT 4763/4885ALDH1A1 1666/4885KDM4E 659/4885
US-20040048844-A1 Acylsemicarbazides as cyclin dependent kinase inhibitors useful as anti-cancer and anti-proliferative agents CDK1, CCNA1, CDK17 MAPT 4802/4885ALDH1A1 1533/4885KDM4E 999/4885

“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.