SCHEMBL6236714

SCHEMBL6236714

COc1ccc2[nH]c3c(c2c1)CCCNC3=O

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.85
MAPT P10636 3/20 0.85
ALDH1A1 P00352 2/20 0.85
HPGD P15428 1/20 0.85
MTNR1A P48039 1/20 0.85
MTNR1B P49286 1/20 0.85
PRKD1 Q15139 1/20 0.66
KDR P35968 2/20 0.65
PARP1 P09874 1/20 0.65
TDP1 Q9NUW8 2/20 0.58
LMNA P02545 2/20 0.58
MAPKAPK2 P49137 4/20 0.57
CDK1 P06493 1/20 0.57
CYP1A2 P05177 2/20 0.54
CYP2D6 P10635 2/20 0.54
ALOX15 P16050 2/20 0.54
RECQL P46063 2/20 0.54
MEN1 O00255 1/20 0.54
CYP3A4 P08684 1/20 0.54
HTR2A P28223 1/20 0.54

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
Hydrochloric Acid SCHEMBL6351333 0.99 KDM4E (0.83) KDM4EMAPTALDH1A1HPGDMTNR1A
SCHEMBL3033917 0.92 KDM4E (1.00) KDM4EMAPTALDH1A1HPGDMTNR1A
SCHEMBL34463671 0.92 KDM4E (1.00) KDM4EMAPTALDH1A1HPGDMTNR1A
SCHEMBL34463669 0.92 KDM4E (1.00) KDM4EMAPTALDH1A1HPGDMTNR1A
SCHEMBL9920131 0.84 KDM4E (0.61) KDM4EMAPTALDH1A1HPGDMTNR1A
SCHEMBL4142893 0.82 KDM4E (0.69) KDM4EMAPTALDH1A1HPGDMTNR1A
SCHEMBL6234998 0.82 KDM4E (0.65) KDM4EMAPTALDH1A1HPGDMTNR1A
SCHEMBL15472018 0.82 KDM4E (0.84) KDM4EMAPTALDH1A1HPGDMTNR1A
SCHEMBL4903858 0.81 KDM4E (0.80) KDM4EMAPTALDH1A1HPGDMTNR1A
Hydrochloric Acid SCHEMBL4901475 0.80 KDM4E (0.78) KDM4EMAPTALDH1A1HPGDMTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9023787-B2 MAPKAP kinase-2 as a specific target for blocking proliferation of P53-defective MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-05-05 US disclosed
US-20140037755-A1 Mapkap Kinase-2 as a Specific Target for Blocking Proliferation of P53-Defective Cells MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2014-02-06 US disclosed
US-20050143371-A1 Beta-carboline compounds and analogues thereof as mitogen-activated protein kinase-activated protein kinase-2 inhibitors PHARMACIA CORPORATION (US) 2005-06-30 US disclosed
WO-2005009370-A2 BETA-CARBOLINE COMPOUNDS AND ANALOGUES THEREOF AND THEIR USE AS MITOGEN-ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 INHIBITORS PHARMACIA CORPORATION (US) 2005-02-03 WO 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 (2 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-20140037755-A1 Mapkap Kinase-2 as a Specific Target for Blocking Proliferation of P53-Defective Cells MAPKAPK2, MAPKAP1, MAP3K2 KDM4E 4005/4885MAPT 1844/4885ALDH1A1 3467/4885
US-20050143371-A1 Beta-carboline compounds and analogues thereof as mitogen-activated protein kinase-activated protein kinase-2 inhibitors MAP4K2, MAPKAPK2, MAP3K2 KDM4E 2254/4885MAPT 2076/4885ALDH1A1 3919/4885

“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.