SCHEMBL1099138

SCHEMBL1099138

O=C(O)Cc1cc2ccc(C(F)(F)F)nc2n1Cc1cccc(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.42
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
ATM Q13315 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.39
FEN1 P39748 1/20 0.38
SYK P43405 1/20 0.37
ENPP2 Q13822 3/20 0.37
BRS3 P32247 1/20 0.37
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
SIGMAR1 Q99720 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
SCHEMBL1099588 0.84 CCR9 (0.47) TRPV1KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL1101025 0.74 TBXA2R (0.48) TRPV1KDM4EMEN1KMT2ASYK
SCHEMBL1101087 0.72 CCR2 (0.47)
SCHEMBL1100996 0.72 KCNQ3 (0.49)
SCHEMBL1099550 0.71 GRIN1 (0.42) KDM4ECYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL1099674 0.68 FFAR1 (0.42) KDM4ECYP1A2CYP3A4CYP2D6CYP2C19
Propionic Acid SCHEMBL1101029 0.68 EPHX2 (0.46) TRPV1GRIN1GRIN2B
SCHEMBL9113 0.66 AKR1B1 (0.58) KDM4ECYP1A2CYP2C19LMNAMAPT
SCHEMBL2840592 0.66 LMNA (0.48) TRPV1KDM4EATMMEN1KMT2A
SCHEMBL974497 0.65 CCR2 (0.46) KDM4ECYP1A2CYP3A4CYP2D6CYP2C19

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 TRPV1 2255/4885KDM4E 804/4885CYP1A2 44/4885
US-20120142669-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy ZYX, NQO2, PYCR1 TRPV1 2255/4885KDM4E 804/4885CYP1A2 44/4885
US-20100041634-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy ZYX, NQO2, PYCR1 TRPV1 2255/4885KDM4E 804/4885CYP1A2 44/4885

“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.