SCHEMBL4447414

SCHEMBL4447414

Cc1ccc(-c2c[nH]nc2-c2ccc(N)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.45
TEAD4 Q15561 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 5/20 0.40
ALDH1A1 P00352 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
POLB P06746 2/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
MAPK1 P28482 2/20 0.39
RAB9A P51151 4/20 0.38
NPC1 O15118 3/20 0.38
ADORA2A P29274 2/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 2/20 0.38
XBP1 P17861 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
LRRK2 Q5S007 1/20 0.37
ERBB2 P04626 1/20 0.37
TSHR P16473 1/20 0.36

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
SCHEMBL3108967 0.86 TDP1 (0.52) MEN1KMT2AMAPTALDH1A1TDP1
SCHEMBL27833459 0.83 NTRK1 (0.44) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL14223292 0.81 PDCD1 (0.45) MEN1KMT2AMAPTALDH1A1TDP1
SCHEMBL7779925 0.80 PTGS2 (0.54) LMNAADORA1
SCHEMBL7777250 0.80 PTGS2 (0.47)
SCHEMBL17785560 0.78 KDR (0.39) ACHETEAD4MAPTALDH1A1TDP1
SCHEMBL7780697 0.78 PTGS2 (0.54)
SCHEMBL7780061 0.78 CA12 (0.56) TDP1TSHR
SCHEMBL3724188 0.75 KDR (0.46) MEN1KMT2AMAPTALDH1A1TDP1
SCHEMBL2419516 0.74 MEN1 (0.40) ACHEMEN1KMT2ATDP1SMN1; SMN2

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
EP-2125825-A1 ABCA1 ELEVATING COMPOUNDS CV THERAPEUTICS, INC. (US) 2009-12-02 EP disclosed
US-7432276-B2 ABCA1 elevating compounds CV THERAPEUTICS, INC. (US) 2008-10-07 US disclosed
WO-2008079139-A1 ABCA1 ELEVATING COMPOUNDS CV THERAPEUTICS, INC. (US) 2008-07-03 WO disclosed
US-20070191379-A1 ABCA1 elevating compounds CV THERAPEUTICS, INC. 2007-08-16 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 (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-20070191379-A1 ABCA1 elevating compounds ABCD3, ABCB4, CETP ACHE 3879/4885TEAD4 1005/4885MEN1 4424/4885

“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.