SCHEMBL1100566

SCHEMBL1100566

COc1ccc(Cn2c(C(=O)Nc3ccc(N4CC(OC(=O)C(F)(F)F)C4)nc3)cc3cc(F)cnc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.41
CNR1 P21554 2/20 0.41
DGAT1 O75907 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NR3C1 P04150 3/20 0.39
PRKAA2 P54646 2/20 0.38
MAPT P10636 3/20 0.38
TP53 P04637 1/20 0.38
FASN P49327 1/20 0.38
LMNA P02545 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
POLB P06746 1/20 0.36
RAB9A P51151 3/20 0.36
KDM4E B2RXH2 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPSR1 Q6W5P4 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
Trifluoroacetic Acid SCHEMBL1100565 0.89 CNR1 (0.41) CNR2CNR1DGAT1MEN1KMT2A
SCHEMBL1101081 0.89 CNR2 (0.44) CNR2CNR1MEN1KMT2ANR3C1
SCHEMBL1100622 0.87 SMO (0.40) CNR1DGAT1
SCHEMBL1099807 0.87 DGAT1 (0.38) DGAT1NR3C1PRKAA2MAPTSMN1; SMN2
Trifluoroacetic Acid SCHEMBL1101066 0.86 FASN (0.42) CNR2CNR1DGAT1MEN1KMT2A
SCHEMBL1100936 0.86 FASN (0.45) CNR2CNR1DGAT1MEN1KMT2A
SCHEMBL1100883 0.83 DGAT1 (0.40) DGAT1MEN1KMT2AMAPTTP53
SCHEMBL1100992 0.82 NR3C1 (0.43) CNR2CNR1DGAT1NR3C1MAPT
SCHEMBL1099653 0.81 CNR2 (0.41) CNR2CNR1DGAT1MAPTTP53
SCHEMBL1101586 0.81 DGAT1 (0.42) DGAT1MEN1KMT2AMAPTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8716273-B2 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy SANOFI (FR) 2014-05-06 US disclosed
US-8716272-B2 N-(amino-heteroaryI)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy SANOFI (FR) 2014-05-06 US disclosed
US-20120142669-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy SANOFI-AVENTIS (FR) 2012-06-07 US disclosed
US-20120142670-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy SANOFI-AVENTIS (FR) 2012-06-07 US disclosed
US-8153650-B2 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy SANOFI-AVENTIS (FR) 2012-04-10 US disclosed
US-20100041634-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy SANOFI-AVENTIS (FR) 2010-02-18 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 (3 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-20120142670-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy ZYX, NQO2, PYCR1 CNR2 75/4885CNR1 234/4885DGAT1 3777/4885
US-20120142669-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy ZYX, NQO2, PYCR1 CNR2 75/4885CNR1 234/4885DGAT1 3777/4885
US-20100041634-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy ZYX, NQO2, PYCR1 CNR2 75/4885CNR1 234/4885DGAT1 3777/4885

“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.