SCHEMBL17444769

SCHEMBL17444769

O=C(NCc1cccnc1)C(=O)NCc1n[nH]c(=O)c2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.57
▸ POLB P06746 1/20 0.57
▸ ALDH1A1 P00352 3/20 0.53
▸ BRD4 O60885 1/20 0.51
▸ PARP1 P09874 3/20 0.50
▸ RECQL P46063 2/20 0.50
▸ TDP1 Q9NUW8 2/20 0.50
▸ AR P10275 1/20 0.50
▸ MEN1 O00255 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ THRB P10828 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ BLM P54132 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48

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
SCHEMBL17444767 0.87 KDM4E (0.73) KDM4EPOLBALDH1A1BRD4PARP1
SCHEMBL12955389 0.80 AR (0.72) PARP1ARLMNACYP3A4CYP2C9
SCHEMBL17444766 0.80 KDM4E (0.60) KDM4EPOLBALDH1A1BRD4PARP1
SCHEMBL4810142 0.79 AR (0.57) KDM4EPOLBPARP1ARLMNA
SCHEMBL4820300 0.78 AR (0.56) KDM4EPOLBPARP1TDP1AR
SCHEMBL17444764 0.78 TDP1 (0.57) KDM4EPOLBALDH1A1BRD4PARP1
SCHEMBL13858810 0.77 KDM4E (0.66) KDM4EPOLBALDH1A1BRD4PARP1
SCHEMBL17444768 0.77 AR (0.64) KDM4EPOLBALDH1A1BRD4PARP1
SCHEMBL4713932 0.76 SMN1; SMN2 (0.61) KDM4EPOLBALDH1A1BRD4PARP1
SCHEMBL6340069 0.74 BRD4 (0.75) KDM4EPOLBALDH1A1BRD4PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9797882-B2 Method of screening for a compound for inhibitory activity of FN14-tweak interaction THE TRANSLATIONAL GENOMICS RESEARCH INSTITUTE (US) 2017-10-24 — — US disclosed
US-9797882-B2 Method of screening for a compound for inhibitory activity of FN14-tweak interaction THE TRANSLATIONAL GENOMICS RESEARCH INSTITUTE (US) 2017-10-24 — — US disclosed
US-20160146784-A1 COMPOSITIONS AND METHODS OF SCREENING FOR COMPOUNDS THAT MODULATE ACTIVITY AT A TWEAK BINDING SITE ON A CRD OF FN14 THE TRANSLATIONAL GENOMICS RESEARCH INSTITUTE 2016-05-26 — — US disclosed
US-20160146784-A1 COMPOSITIONS AND METHODS OF SCREENING FOR COMPOUNDS THAT MODULATE ACTIVITY AT A TWEAK BINDING SITE ON A CRD OF FN14 THE TRANSLATIONAL GENOMICS RESEARCH INSTITUTE 2016-05-26 — — US disclosed
US-9238034-B2 FN14 antagonists and therapeutic uses thereof THE TRANSLATIONAL GENOMICS RESEARCH INSTITUTE (US) 2016-01-19 — — US disclosed
US-9238034-B2 FN14 antagonists and therapeutic uses thereof THE TRANSLATIONAL GENOMICS RESEARCH INSTITUTE (US) 2016-01-19 — — 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-20160146784-A1 COMPOSITIONS AND METHODS OF SCREENING FOR COMPOUNDS THAT MODULATE ACTIVITY AT A TWEAK BINDING SITE ON A CRD OF FN14 FN1, ST14, TNFRSF1A KDM4E 4405/4885POLB 4820/4885ALDH1A1 4329/4885

“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.

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