SCHEMBL14703142

SCHEMBL14703142

N=C(NCc1c(F)cccc1F)NC(=N)N1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.41
▸ MAPT P10636 3/20 0.41
▸ LMNA P02545 2/20 0.39
▸ HPGD P15428 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ NPC1 O15118 4/20 0.36
▸ RAB9A P51151 4/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ MAPK1 P28482 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MPI P34949 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.33
▸ PKM P14618 1/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ NFKB2 Q00653 1/20 0.32
▸ RELA Q04206 1/20 0.32

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
SCHEMBL14703436 0.80 SMN1; SMN2 (0.47) MAPTLMNAALDH1A1NPC1RAB9A
SCHEMBL17777333 0.80 LMNA (0.42) KMT2AMAPTLMNAHPGDALDH1A1
SCHEMBL13939608 0.80 KMT2A (0.56) KMT2AMAPTLMNAALDH1A1MEN1
SCHEMBL14703344 0.79 ALDH1A1 (0.45) KMT2AMAPTHPGDALDH1A1NPC1
SCHEMBL14703370 0.78 ALDH1A1 (0.46) KMT2AMAPTLMNAALDH1A1RAB9A
SCHEMBL14703671 0.78 KMT2A (0.48) KMT2ALMNAALDH1A1NPC1RAB9A
SCHEMBL7696764 0.77 KMT2A (0.51) KMT2AMAPTLMNAHPGDALDH1A1
SCHEMBL14703433 0.76 MEN1 (0.43) KMT2AMAPTMEN1L3MBTL1
SCHEMBL14703426 0.75 MEN1 (0.52) KMT2ALMNAHPGDALDH1A1NPC1
SCHEMBL14703476 0.75 KIF11 (0.40) KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2742020-B1 N1-CYCLIC AMINE-N5-SUBSTITUTED BIGUANIDE DERIVATIVES, METHODS OF PREPARING THE SAME AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME IMMUNOMET THERAPEUTICS INC (US) 2017-10-25 — — EP disclosed
US-9321742-B2 N1-cyclic amine-N5-substituted biguanide derivatives, methods of preparing the same and pharmaceutical composition comprising the same IMMUNOMET THERAPEUTICS INC. (US) 2016-04-26 — — US disclosed
US-9321742-B2 N1-cyclic amine-N5-substituted biguanide derivatives, methods of preparing the same and pharmaceutical composition comprising the same IMMUNOMET THERAPEUTICS INC. (US) 2016-04-26 — — US disclosed
US-20140296222-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2014-10-02 — — US disclosed
US-20140179661-A1 N1-Cyclic Amine-N5-Substituted Biguanide Derivatives, Methods of Preparing the Same and Pharmaceutical Composition Comprising the Same HANALL BIOPHARMA CO., LTD. (KR) 2014-06-26 — — US disclosed
US-20140179661-A1 N1-Cyclic Amine-N5-Substituted Biguanide Derivatives, Methods of Preparing the Same and Pharmaceutical Composition Comprising the Same HANALL BIOPHARMA CO., LTD. (KR) 2014-06-26 — — US disclosed
WO-2013022279-A2 N1-CYCLIC AMINE-N5-SUBSTITUTED BIGUANIDE DERIVATIVES, METHODS OF PREPARING THE SAME AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME HANALL BIOPHARMA CO., LTD. (KR) 2013-02-14 — — 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-20140179661-A1 N1-Cyclic Amine-N5-Substituted Biguanide Derivatives, Methods of Preparing the Same and Pharmaceutical Composition Comprising the Same PRKAG1, GCKR, GPR119 KMT2A 1377/4885MAPT 3041/4885LMNA 2589/4885
US-20140296222-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE BACE1, APP, BACE2 KMT2A 3376/4885MAPT 14/4885LMNA 424/4885

“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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