SCHEMBL623478

SCHEMBL623478

CN(C)C=NC(=O)c1sc(Br)nc1Cc1ccc(Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.39
ALDH1A1 P00352 4/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
POLB P06746 2/20 0.39
HTT P42858 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SMN1; SMN2 Q16637 7/20 0.37
RAB9A P51151 5/20 0.37
NPC1 O15118 3/20 0.37
KDM4E B2RXH2 2/20 0.37
GAA P10253 1/20 0.37
ALOX5 P09917 1/20 0.35
RECQL P46063 1/20 0.34
ATM Q13315 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL623477 1.00 MAPT (0.39) MAPTALDH1A1KMT2AMEN1POLB
SCHEMBL623628 0.81 SMN1; SMN2 (0.39) MAPTALDH1A1KMT2AMEN1POLB
SCHEMBL623627 0.81 SMN1; SMN2 (0.39) MAPTALDH1A1KMT2AMEN1POLB
SCHEMBL627033 0.77 SMN1; SMN2 (0.52) MAPTALDH1A1KMT2AMEN1POLB
SCHEMBL10288143 0.77 MAPT (0.45) MAPTALDH1A1KMT2AMEN1POLB
SCHEMBL623736 0.76 ALDH1A1 (0.44) MAPTALDH1A1KMT2AMEN1POLB
SCHEMBL623716 0.73 MAPT (0.58) MAPTALDH1A1KMT2AMEN1HTT
SCHEMBL626240 0.68 ALDH1A1 (0.55) MAPTALDH1A1KMT2AMEN1POLB
SCHEMBL626239 0.68 ALDH1A1 (0.55) MAPTALDH1A1KMT2AMEN1POLB
SCHEMBL622665 0.68 ALDH1A1 (0.42) MAPTALDH1A1KMT2AMEN1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150175563-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARM INC (US) 2015-06-25 US disclosed
US-20150175593-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARM INC (US) 2015-06-25 US disclosed
US-8796271-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-05 US disclosed
US-8796268-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-05 US disclosed
EP-2603214-A1 HETEROARYLS AND USES THEREOF Millennium Pharmaceuticals, Inc. (US) 2013-06-19 EP disclosed
US-20120178723-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-07-12 US disclosed
US-20120172345-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-07-05 US disclosed
WO-2012021696-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-16 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 (4 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-20120172345-A1 HETEROARYLS AND USES THEREOF PIK3R1, PIK3R2, PIK3R3 MAPT 4837/4885ALDH1A1 429/4885KMT2A 1647/4885
US-20150175563-A1 HETEROARYLS AND USES THEREOF PIK3R1, PIK3R2, PIK3R3 MAPT 4837/4885ALDH1A1 429/4885KMT2A 1647/4885
US-20120178723-A1 HETEROARYLS AND USES THEREOF PIK3R1, PIK3R2, PIK3R3 MAPT 4833/4885ALDH1A1 395/4885KMT2A 1460/4885
US-20150175593-A1 HETEROARYLS AND USES THEREOF PIK3R1, PIK3R2, PIK3R3 MAPT 4833/4885ALDH1A1 395/4885KMT2A 1460/4885

“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.