SCHEMBL5513692

SCHEMBL5513692

NNC(=O)Oc1ccc(N)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.58
MAPT P10636 2/20 0.58
GAA P10253 2/20 0.58
KDM4E B2RXH2 1/20 0.58
GLA P06280 1/20 0.58
THRB P10828 1/20 0.58
BLM P54132 1/20 0.58
CASP6 P55212 1/20 0.58
GFER P55789 1/20 0.58
PRSS1 P07477 3/20 0.50
PRSS2 P07478 3/20 0.50
PRSS3 P35030 3/20 0.50
PARP10 Q53GL7 1/20 0.44
ALDH1A1 P00352 3/20 0.42
CYP3A4 P08684 2/20 0.42
TSHR P16473 1/20 0.42
F2 P00734 2/20 0.42
PKM P14618 1/20 0.42
KMT2A Q03164 1/20 0.42
RAB9A P51151 2/20 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
SCHEMBL7143263 0.84 KMT2A (0.46) TDP1MAPTGAAKDM4EGLA
SCHEMBL5516916 0.83 GAA (0.58) TDP1MAPTGAAKDM4EGLA
SCHEMBL11675308 0.81 TDP1 (0.56) TDP1MAPTGAAKDM4EGLA
SCHEMBL7917161 0.81 TDP1 (0.56) TDP1MAPTGAAKDM4EGLA
SCHEMBL27486662 0.81 LIPE (0.54) MAPTKDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL6613749 0.81 LMNA (0.57) TDP1MAPTGAAKDM4EPRSS1
SCHEMBL27853710 0.81 CA1 (0.60) MAPTGAAPARP10ALDH1A1RAB9A
SCHEMBL721196 0.80 SLC1A3 (0.53) TDP1MAPTGAAKDM4ETHRB
SCHEMBL15333894 0.79 MEN1 (0.42) TDP1MAPTGAAKDM4EGLA
SCHEMBL16280936 0.79 MAPT (0.86) TDP1MAPTGAAKDM4EGLA

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 9 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
CN-1553900-A Acylsemicarbazides as cyclin dependent kinase inhibitors useful as anti-cancer and anti-proliferative agents ��ʱ��ʩ����ҩ��˾ 2004-12-08 CN 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-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 TDP1 1458/4885MAPT 4802/4885GAA 1553/4885
US-20050261353-A1 Acylsemicarbazides as cyclin dependent kinase inhibitors useful as anti-cancer and anti-proliferative agents CDK1, CDK17, CDK7 TDP1 2196/4885MAPT 4763/4885GAA 993/4885
US-20040048844-A1 Acylsemicarbazides as cyclin dependent kinase inhibitors useful as anti-cancer and anti-proliferative agents CDK1, CCNA1, CDK17 TDP1 1458/4885MAPT 4802/4885GAA 1553/4885

“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.