SCHEMBL1562768

SCHEMBL1562768

Cc1ccc(-n2c(SCC(=O)Nc3ccccc3Br)nc(C)c2C)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.54
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ EGFR P00533 1/20 0.51
▸ USP2 O75604 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ PNP P00491 2/20 0.48
▸ POLB P06746 4/20 0.48
▸ THRB P10828 1/20 0.48
▸ MEN1 O00255 3/20 0.48
▸ LMNA P02545 2/20 0.47
▸ MAPT P10636 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ RECQL P46063 1/20 0.47
▸ KDR P35968 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ BLM P54132 1/20 0.47

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
SCHEMBL12459463 0.75 CYP3A4 (0.67) KMT2ASMN1; SMN2L3MBTL1MEN1LMNA
SCHEMBL12459461 0.73 KMT2A (0.63) KMT2ASMN1; SMN2L3MBTL1POLBTHRB
SCHEMBL12459467 0.72 LMNA (0.69) KMT2APOLBMEN1LMNAMAPT
SCHEMBL1563031 0.72 KMT2A (0.70) KMT2ASMN1; SMN2L3MBTL1THRBMAPT
SCHEMBL29105155 0.71 KCNQ2 (0.80) KMT2ASMN1; SMN2L3MBTL1MEN1LMNA
SCHEMBL11919920 0.70 MEN1 (0.62) KMT2ASMN1; SMN2POLBMEN1MAPT
SCHEMBL4210377 0.69 KMT2A (0.71) KMT2ASMN1; SMN2USP2MEN1LMNA
SCHEMBL12459696 0.69 CYP3A4 (0.63) KMT2ASMN1; SMN2L3MBTL1LMNACYP3A4
SCHEMBL1563417 0.68 KMT2A (0.54) KMT2AUSP2L3MBTL1MEN1MAPT
SCHEMBL14026814 0.68 KMT2A (0.51) KMT2ASMN1; SMN2USP2L3MBTL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2353593-B1 Non-nucleoside reverse transcriptase inhibitors ARDEA BIOSCIENCES INC (US) 2012-08-22 — — EP disclosed
EP-2353593-B1 Non-nucleoside reverse transcriptase inhibitors ARDEA BIOSCIENCES INC (US) 2012-08-22 — — EP disclosed
EP-2353593-A1 Non-nucleoside reverse transcriptase inhibitors Ardea Biosciences, Inc. (US) 2011-08-10 — — EP disclosed
EP-2353593-A1 Non-nucleoside reverse transcriptase inhibitors Ardea Biosciences, Inc. (US) 2011-08-10 — — EP disclosed
EP-1545483-B1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS ARDEA BIOSCIENCES INC (US) 2011-04-06 — — EP disclosed
EP-1545483-B1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS ARDEA BIOSCIENCES INC (US) 2011-04-06 — — EP disclosed
EP-1545483-A4 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS ARDEA BIOSCIENCES INC (US) 2009-03-25 — — EP disclosed
US-20080249131-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS ARDEA BIOSCIENCES, INC. (US) 2008-10-09 — — US disclosed
US-20080249131-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS ARDEA BIOSCIENCES, INC. (US) 2008-10-09 — — US disclosed
US-20080249131-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS ARDEA BIOSCIENCES, INC. (US) 2008-10-09 — — US disclosed
US-20060135556-A1 Non-nucleoside reverse transcriptase inhibitors INTRABIOTICS PHARMACEUTICALS, INC. 2006-06-22 — — US disclosed
EP-1545483-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS Ribapharm Inc. (US) 2005-06-29 — — EP disclosed
WO-2004030611-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS RIBAPHARM INC. (US) 2004-04-15 — — 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-20080249131-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS POLRMT, TYMP, RNGTT KMT2A 911/4885SMN1; SMN2 1681/4885EGFR 4739/4885
US-20060135556-A1 Non-nucleoside reverse transcriptase inhibitors POLRMT, TYMP, RNGTT KMT2A 911/4885SMN1; SMN2 1681/4885EGFR 4739/4885

“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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