SCHEMBL4160382

SCHEMBL4160382

O=C(O)C1(c2c[nH]c3c(=O)[nH]c4ccccc4c23)CCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 1/20 0.40
KDM4E B2RXH2 4/20 0.40
TDP1 Q9NUW8 1/20 0.40
HDAC1 Q13547 1/20 0.39
CHEK1 O14757 2/20 0.38
MAPT P10636 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CDK4 P11802 2/20 0.37
CCND1 P24385 2/20 0.37
PRKCA P17252 2/20 0.37
PRKD3 O94806 1/20 0.37
CCNB2 O95067 1/20 0.37
CCNE2 O96020 1/20 0.37
PRKCG P05129 1/20 0.37
PRKCB P05771 1/20 0.37
CDK1 P06493 1/20 0.37
CCNB1 P14635 1/20 0.37
PRKACA P17612 1/20 0.37
CCNA2 P20248 1/20 0.37

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
SCHEMBL4166124 0.84 AKR1C1 (0.31) AKR1C1CDK1CDK2PARP1
SCHEMBL4159565 0.78 CAMKK2 (0.39)
SCHEMBL3247782 0.73 KDM4E (0.54) KDM4ETDP1CHEK1MAPTMEN1
SCHEMBL13356304 0.72 CHEK1 (0.41) KDM4ECHEK1MAPTMEN1KMT2A
SCHEMBL24812437 0.71 HDAC1 (0.50) KDM4EHDAC1MAPTMEN1KMT2A
SCHEMBL30050333 0.71 HDAC1 (0.50) KDM4EHDAC1MAPTMEN1KMT2A
SCHEMBL3245579 0.70 KDM4E (0.44) KDM4ETDP1CHEK1MAPTMEN1
SCHEMBL4162494 0.70 GRIN2D (0.51) KDM4ETDP1CHEK1MAPTMEN1
SCHEMBL3251592 0.70 PBRM1 (0.55) KDM4ETDP1CHEK1MAPTMEN1
SCHEMBL14624979 0.70 CHEK1 (0.44) KDM4ETDP1CHEK1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8426437-B2 Pyrroloquinoline derivatives and their use as protein kinases inhibitors PIERRE FABRE MEDICAMENT (FR) 2013-04-23 US disclosed
US-20090042876-A1 Pyrroloquinoline Derivatives And Their Use As Protein Kinases Inhibitors PIERRE FABRE MEDICAMENT (FR) 2009-02-12 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 (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-20090042876-A1 Pyrroloquinoline Derivatives And Their Use As Protein Kinases Inhibitors MAP3K1, MAP3K2, MAP3K7 AKR1C1 3337/4885KDM4E 1970/4885TDP1 1098/4885

“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.