SCHEMBL1099807

SCHEMBL1099807

O=C(Nc1ccc(N2CC(OC(=O)C(F)(F)F)C2)nc1)c1cc2cc(F)cnc2n1Cc1cc(Cl)cc(C(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 4/20 0.38
TRPV1 Q8NER1 2/20 0.37
NR3C1 P04150 1/20 0.36
MAPT P10636 6/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
STAT3 P40763 1/20 0.35
KDM4E B2RXH2 4/20 0.34
POLB P06746 1/20 0.33
PRKAA2 P54646 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KCNQ3 O43525 1/20 0.33
KCNQ2 O43526 1/20 0.33
EGFR P00533 1/20 0.32
LCK P06239 1/20 0.32
BTK Q06187 1/20 0.32
RAF1 P04049 1/20 0.32

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
SCHEMBL14972747 0.90 TRPV1 (0.45) DGAT1TRPV1NR3C1MAPTSMN1; SMN2
Trifluoroacetic Acid SCHEMBL1099809 0.89 TRPV1 (0.43) DGAT1TRPV1NR3C1MAPTSMN1; SMN2
SCHEMBL1100566 0.87 CNR2 (0.41) DGAT1NR3C1MAPTSMN1; SMN2KDM4E
SCHEMBL1100622 0.84 SMO (0.40) DGAT1
SCHEMBL1100294 0.81 KDM4E (0.41) DGAT1TRPV1MAPTKDM4ETDP1
SCHEMBL1100633 0.80 RAF1 (0.43) DGAT1TRPV1MAPTSMN1; SMN2STAT3
SCHEMBL1099653 0.78 CNR2 (0.41) DGAT1TRPV1MAPTSMN1; SMN2KDM4E
SCHEMBL1100554 0.78 TRPV1 (0.47) DGAT1TRPV1MAPTKDM4EKCNQ3
SCHEMBL1101169 0.78 TRPV1 (0.43) DGAT1TRPV1NR3C1MAPTSMN1; SMN2
SCHEMBL1101330 0.77 DGAT1 (0.41) DGAT1TRPV1MAPTSMN1; SMN2KCNQ3

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 DGAT1 3777/4885TRPV1 2255/4885NR3C1 2971/4885
US-20120142669-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy ZYX, NQO2, PYCR1 DGAT1 3777/4885TRPV1 2255/4885NR3C1 2971/4885
US-20100041634-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy ZYX, NQO2, PYCR1 DGAT1 3777/4885TRPV1 2255/4885NR3C1 2971/4885

“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.