SCHEMBL1100294

SCHEMBL1100294

O=C(Nc1ccc(N2CC(OC(=O)C(F)(F)F)C2)nc1)c1cc2cccnc2n1Cc1cccc(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
DGAT1 O75907 4/20 0.39
TRPV1 Q8NER1 2/20 0.39
F10 P00742 1/20 0.37
SMO Q99835 1/20 0.37
GPR6 P46095 1/20 0.36
FAAH O00519 5/20 0.36
SGMS2 Q8NHU3 1/20 0.36
MAPT P10636 1/20 0.36
CNR1 P21554 2/20 0.35
CNR2 P34972 2/20 0.35

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
SCHEMBL1100883 0.90 DGAT1 (0.40) KDM4EALDH1A1HPGDHTTDGAT1
Trifluoroacetic Acid SCHEMBL1100292 0.88 TRPV1 (0.46) KDM4EALDH1A1HPGDHTTTDP1
SCHEMBL1100738 0.87 TRPV1 (0.45) KDM4EALDH1A1HPGDHTTTDP1
SCHEMBL1100988 0.84 HTT (0.46) KDM4EALDH1A1HPGDHTTTDP1
SCHEMBL1100622 0.81 SMO (0.40) DGAT1SMOCNR1
SCHEMBL1099807 0.81 DGAT1 (0.38) KDM4EALDH1A1TDP1DGAT1TRPV1
SCHEMBL1101089 0.81 PPARG (0.42) KDM4ETRPV1MAPT
SCHEMBL1099735 0.80 ABL1 (0.44) TRPV1SMO
SCHEMBL1100473 0.80 CNR1 (0.45) KDM4EDGAT1TRPV1F10CNR1
SCHEMBL1100804 0.79 TRPV1 (0.49) KDM4EDGAT1TRPV1SMOMAPT

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-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-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-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 KDM4E 804/4885ALDH1A1 780/4885HPGD 561/4885
US-20120142669-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy ZYX, NQO2, PYCR1 KDM4E 804/4885ALDH1A1 780/4885HPGD 561/4885
US-20100041634-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy ZYX, NQO2, PYCR1 KDM4E 804/4885ALDH1A1 780/4885HPGD 561/4885

“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.