SCHEMBL6813380

SCHEMBL6813380

CCc1ccc2nncn2c1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MLLT1 Q03111 14/20 0.58
MLLT3 P42568 4/20 0.45
SCN5A Q14524 1/20 0.44
DNMT1 P26358 1/20 0.42
YEATS2 Q9ULM3 1/20 0.40
NAMPT P43490 1/20 0.39
PARP15 Q460N3 1/20 0.37
PARP10 Q53GL7 1/20 0.37
TNKS2 Q9H2K2 1/20 0.37
PARP2 Q9UGN5 1/20 0.37
MAPK14 Q16539 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
SCHEMBL17425964 0.81 MLLT1 (0.44) MLLT1MLLT3SCN5ADNMT1YEATS2
SCHEMBL18576503 0.80 MLLT1 (0.45) MLLT1MLLT3SCN5ADNMT1YEATS2
SCHEMBL2736776 0.74 DNMT1 (0.46) MLLT1MLLT3SCN5ADNMT1MAPK14
SCHEMBL15907160 0.72 MLLT1 (0.40) MLLT1SCN5APARP15PARP10TNKS2
SCHEMBL21388565 0.72 MLLT1 (0.41) MLLT1MLLT3SCN5ADNMT1MAPK14
SCHEMBL20689916 0.72 DNMT1 (0.42) MLLT1MLLT3SCN5ADNMT1YEATS2
SCHEMBL16824464 0.70 KMT2A (0.53) MLLT1MLLT3YEATS2NAMPT
SCHEMBL21369473 0.69 DNMT1 (0.46) MLLT1MLLT3SCN5ADNMT1YEATS2
SCHEMBL15008043 0.69 MAPK14 (0.54) MLLT1MLLT3SCN5ADNMT1MAPK14
SCHEMBL5250334 0.69 DNMT1 (0.46) MLLT1MLLT3SCN5ADNMT1YEATS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12030878-B2 Substituted indole ether compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-09 US disclosed
WO-2023077259-A1 FUSED TETRACYCLIC QUINAZOLINE DERIVATIVES AS INHIBITORS OF ERBB2 ENLIVEN THERAPEUTICS, INC. (US) 2023-05-11 WO disclosed
WO-2023078426-A1 COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF 上海优理惠生医药有限公司 2023-05-11 WO disclosed
US-20230000993-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO INC (US) 2023-01-05 US disclosed
US-9931407-B2 Silicon based drug conjugates and methods of using same BLINKBIO, INC. (US) 2018-04-03 US disclosed
US-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO, INC. 2017-07-20 US disclosed
US-8183263-B2 Heteroaryl substituted thiazoles ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-22 US disclosed
US-20110021521-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2011-01-27 US disclosed
US-20090041720-A1 HETEROARYL SUBSTITUTED THIAZOLES ACHILLION PHARMACEUTICALS, INC. (US) 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 (5 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-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME CD44, MSN, AS3MT MLLT1 2749/4885MLLT3 3704/4885SCN5A 3339/4885
US-20230000993-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME CD44, MSN, AS3MT MLLT1 2749/4885MLLT3 3704/4885SCN5A 3339/4885
US-20110021521-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, KCNH2, KCNA3 MLLT1 1286/4885MLLT3 282/4885SCN5A 52/4885
US-20090041720-A1 HETEROARYL SUBSTITUTED THIAZOLES CYP3A43, CYP3A7, HAVCR2 MLLT1 3569/4885MLLT3 3055/4885SCN5A 2048/4885
US-12030878-B2 Substituted indole ether compounds TLR7, TLR8, TLR1 MLLT1 593/4885MLLT3 1367/4885SCN5A 2211/4885

“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.