SCHEMBL1099550

SCHEMBL1099550

O=C(O)CCc1cc2cc(C(F)(F)F)cnc2n1Cc1cccc(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 2/20 0.42
GRIN2B Q13224 2/20 0.42
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C19 P33261 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP2D6 P10635 1/20 0.41
ATM Q13315 1/20 0.41
ENPP2 Q13822 2/20 0.39
FFAR1 O14842 4/20 0.39
FFAR4 Q5NUL3 3/20 0.39
PLA2G10 O15496 1/20 0.38
PLA2G2A P14555 1/20 0.38
PLA2G5 P39877 1/20 0.38
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
MAPT P10636 1/20 0.37
LMNA P02545 2/20 0.37
TBXA2R P21731 1/20 0.37
USP2 O75604 1/20 0.37

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
SCHEMBL1099674 0.89 FFAR1 (0.42) CYP1A2CYP3A4CYP2C19KDM4ECYP2D6
SCHEMBL1100326 0.85 FFAR1 (0.41) GRIN1GRIN2BCYP3A4KDM4EFFAR1
SCHEMBL974497 0.83 CCR2 (0.46) GRIN1GRIN2BCYP1A2CYP3A4CYP2C19
SCHEMBL975362 0.81 KMT2A (0.44) GRIN1GRIN2BCYP1A2CYP3A4CYP2C19
SCHEMBL1093477 0.77 MAPT (0.46) GRIN1GRIN2BCYP1A2CYP3A4CYP2C19
SCHEMBL1100394 0.75 NPC1 (0.38) GRIN1GRIN2BKDM4EFFAR1CNR1
SCHEMBL1101025 0.75 TBXA2R (0.48) KDM4EENPP2FFAR1TBXA2R
Propionic Acid SCHEMBL1099553 0.75 MAPK14 (0.43) GRIN1GRIN2BCYP1A2CYP3A4CYP2C19
SCHEMBL1100924 0.74 DGAT1 (0.37) GRIN1GRIN2BKDM4EENPP2CNR1
SCHEMBL1099566 0.74 KCNQ3 (0.48) GRIN1GRIN2BCYP1A2CYP3A4CYP2C19

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 GRIN1 875/4885GRIN2B 536/4885CYP1A2 44/4885
US-20120142669-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy ZYX, NQO2, PYCR1 GRIN1 875/4885GRIN2B 536/4885CYP1A2 44/4885
US-20100041634-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy ZYX, NQO2, PYCR1 GRIN1 875/4885GRIN2B 536/4885CYP1A2 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.