SCHEMBL1908200

SCHEMBL1908200

COc1cc(-c2cnn(C)c2)cn2ncc(C(=O)Nc3cnn(C)c3)c12

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.46
ERN1 O75460 1/20 0.43
IKBKE Q14164 1/20 0.43
TBK1 Q9UHD2 1/20 0.43
IRAK4 Q9NWZ3 2/20 0.41
RET P07949 1/20 0.41
LRRK2 Q5S007 3/20 0.41
USP30 Q70CQ3 1/20 0.41
EP300 Q09472 1/20 0.41
CREBBP Q92793 1/20 0.41
CLK1 P49759 1/20 0.40
AXL P30530 1/20 0.40
CSF1R P07333 2/20 0.40
AAK1 Q2M2I8 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CLK2 P49760 1/20 0.39

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
SCHEMBL2352784 0.90 ALDH1A1 (0.47) ERN1IKBKETBK1IRAK4RET
SCHEMBL1905270 0.90 IKBKE (0.57) IKBKETBK1LRRK2CLK1AXL
SCHEMBL12394624 0.90 MEN1 (0.47) KDM1AIKBKETBK1IRAK4RET
SCHEMBL1908129 0.88 TTK (0.46) ERN1RETUSP30CREBBPCLK1
SCHEMBL1901229 0.87 LRRK2 (0.57) IKBKETBK1LRRK2AXLALDH1A1
SCHEMBL23501130 0.85 ERN1 (0.47) ERN1RETUSP30
SCHEMBL1901010 0.84 ERN1 (0.48) ERN1RETUSP30
SCHEMBL1903169 0.83 MKNK1 (0.48) ERN1RETUSP30
SCHEMBL1907113 0.81 IRAK4 (0.41) ERN1IRAK4RETUSP30
SCHEMBL2352407 0.81 IRAK4 (0.42) IKBKETBK1IRAK4RETCSF1R

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-8455477-B2 Therapeutic compounds MERCK SHARP & DOHME CORP. (US) 2013-06-04 US claimed
US-20110207711-A1 Therapeutic Compounds MSD K.K. (JP) 2011-08-25 US claimed
US-8455477-B2 Therapeutic compounds MERCK SHARP & DOHME CORP. (US) 2013-06-04 US disclosed
US-8455477-B2 Therapeutic compounds MERCK SHARP & DOHME CORP. (US) 2013-06-04 US disclosed
US-8455477-B2 Therapeutic compounds MERCK SHARP & DOHME CORP. (US) 2013-06-04 US disclosed
US-20110207711-A1 Therapeutic Compounds MSD K.K. (JP) 2011-08-25 US disclosed
US-20110207711-A1 Therapeutic Compounds MSD K.K. (JP) 2011-08-25 US disclosed
US-20110207711-A1 Therapeutic Compounds MSD K.K. (JP) 2011-08-25 US disclosed
EP-2320907-A1 THERAPEUTIC COMPOUNDS Merck & Co., Inc. (US) 2011-05-18 EP disclosed
WO-2010017047-A1 THERAPEUTIC COMPOUNDS MERCK & CO., INC. (US) 2010-02-11 WO disclosed
WO-2010017047-A1 THERAPEUTIC COMPOUNDS MERCK & CO., INC. (US) 2010-02-11 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 (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-20110207711-A1 Therapeutic Compounds WEE2, MARK3, WEE1 KDM1A 3461/4885ERN1 1096/4885IKBKE 657/4885

“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.