SCHEMBL2174158

SCHEMBL2174158

Brc1cccc(N2CCCCCC2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
HPGD P15428 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
GAA P10253 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KDM4E B2RXH2 1/20 0.50
HSD17B10 Q99714 1/20 0.50
PRMT6 Q96LA8 1/20 0.50
DHFR P00374 1/20 0.49
ALOX5 P09917 1/20 0.47
AGXT P21549 1/20 0.47
ABCG2 Q9UNQ0 1/20 0.46
MGLL Q99685 1/20 0.46
S100B P04271 2/20 0.44
TERT O14746 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
PKM P14618 1/20 0.44

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
SCHEMBL265128 1.00 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AHPGDTDP1
SCHEMBL1353556 0.98 MEN1 (0.52) ALDH1A1MEN1KMT2AHPGDTDP1
SCHEMBL1699410 0.94 DHFR (0.50) ALDH1A1MEN1KMT2AHPGDTDP1
SCHEMBL22685038 0.84 ALDH1A1 (0.59) ALDH1A1MEN1KMT2AHPGDTDP1
SCHEMBL28820505 0.82 HTR7 (0.50) ALDH1A1MEN1KMT2AHPGDGAA
SCHEMBL2190020 0.82 MEN1 (0.52) ALDH1A1MEN1KMT2ADHFRALOX5
Bromobenzene SCHEMBL28019698 0.81 L3MBTL1 (0.50) ALDH1A1MEN1KMT2AHPGDTDP1
SCHEMBL689422 0.80 HTR7 (0.62) ALDH1A1MAPTHTT
SCHEMBL1559226 0.80 ADRA2C (0.65) ALDH1A1MEN1KMT2AGAAKDM4E
SCHEMBL4750843 0.80 DHFR (0.50) ALDH1A1MEN1KMT2ASMN1; SMN2DHFR

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
EP-2519522-B1 SUBSTITUTED IMIDAZOPYRIDINYL-AMINOPYRIDINE COMPOUNDS ARQULE INC (US) 2014-09-24 EP disclosed
EP-2519522-B1 SUBSTITUTED IMIDAZOPYRIDINYL-AMINOPYRIDINE COMPOUNDS ARQULE INC (US) 2014-09-24 EP disclosed
US-8501770-B2 Substituted imidazopyridinyl-aminopyridine compounds ARQULE, INC. (US) 2013-08-06 US disclosed
US-8501770-B2 Substituted imidazopyridinyl-aminopyridine compounds ARQULE, INC. (US) 2013-08-06 US disclosed
US-8501770-B2 Substituted imidazopyridinyl-aminopyridine compounds ARQULE, INC. (US) 2013-08-06 US disclosed
EP-2519522-A2 SUBSTITUTED IMIDAZOPYRIDINYL-AMINOPYRIDINE COMPOUNDS ArQule, Inc. (US) 2012-11-07 EP disclosed
US-20110172203-A1 Substituted Imidazopyridinyl-Aminopyridine Compounds ARQULE, INC. (US) 2011-07-14 US disclosed
US-20110172203-A1 Substituted Imidazopyridinyl-Aminopyridine Compounds ARQULE, INC. (US) 2011-07-14 US disclosed
US-20110172203-A1 Substituted Imidazopyridinyl-Aminopyridine Compounds ARQULE, INC. (US) 2011-07-14 US disclosed
WO-2011082270-A2 SUBSTITUTED IMIDAZOPYRIDINYL-AMINOPYRIDINE COMPOUNDS ARQULE. INC. (US) 2011-07-07 WO disclosed
WO-2011082270-A2 SUBSTITUTED IMIDAZOPYRIDINYL-AMINOPYRIDINE COMPOUNDS ARQULE. INC. (US) 2011-07-07 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-20110172203-A1 Substituted Imidazopyridinyl-Aminopyridine Compounds MKI67, CDK4, ABL1 ALDH1A1 651/4885MEN1 1121/4885KMT2A 823/4885

“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.