SCHEMBL5449808

SCHEMBL5449808

CCCCNc1cccc2c(C(=O)C=CN(C)C)c(-c3ccc(Br)cc3)nn12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.38
RECQL P46063 2/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 3/20 0.36
RXFP1 Q9HBX9 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 4/20 0.33
MAPT P10636 3/20 0.33
HDAC3 O15379 3/20 0.33
HDAC1 Q13547 3/20 0.33
HDAC2 Q92769 3/20 0.33
NPC1 O15118 2/20 0.33
KMT2A Q03164 2/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
NCOR2 Q9Y618 1/20 0.33
EGFR P00533 1/20 0.33
TP53 P04637 3/20 0.31

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
SCHEMBL5449801 1.00 RAB9A (0.38) RAB9ARECQLLMNAPOLBRXFP1
SCHEMBL5452149 0.91 TDP1 (0.40) RAB9ALMNAPOLBTDP1ALDH1A1
SCHEMBL5452145 0.91 TDP1 (0.40) RAB9ALMNAPOLBTDP1ALDH1A1
SCHEMBL5462814 0.85 HDAC3 (0.38) RAB9APOLBRXFP1ALDH1A1MAPT
SCHEMBL5452130 0.75 AXL (0.38) RAB9ALMNAPOLBALDH1A1HDAC3
SCHEMBL5943215 0.73 TP53 (0.44) RAB9ARECQLLMNAPOLBRXFP1
SCHEMBL5943212 0.73 TP53 (0.44) RAB9ARECQLLMNAPOLBRXFP1
SCHEMBL5457488 0.72 TDP1 (0.39) RAB9ALMNAPOLBRXFP1TDP1
SCHEMBL6106977 0.72 ALDH1A1 (0.41) LMNAPOLBTDP1ALDH1A1MAPT
SCHEMBL6106986 0.72 ALDH1A1 (0.41) LMNAPOLBTDP1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070287721-A1 Pyrazolopyridinyl pyridine BOYD F LESLIE 2007-12-13 US disclosed
US-7153855-B2 Pyrazolopyridinyl pyrimidine therapeutic compounds SMITHKLINE BEECHAM CORPORATION (US) 2006-12-26 US disclosed
EP-1377573-B1 PYRAZOLOPYRIDINE DERIVATIVES GLAXO GROUP LTD (GB) 2005-07-27 EP disclosed
US-20050049260-A1 Therapeutic compounds SMITHKLINE BEECHAM CORPORATION 2005-03-03 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 (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-20070287721-A1 Pyrazolopyridinyl pyridine CYP3A5, CYP2C19, CYP3A4 RAB9A 1326/4885RECQL 1064/4885LMNA 4155/4885
US-20050049260-A1 Therapeutic compounds ABCB1, PCSK9, ABCB11 RAB9A 1242/4885RECQL 2468/4885LMNA 2897/4885

“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.