SCHEMBL1100754

SCHEMBL1100754

O=C(Nc1ccc(N2CCC2)nc1)c1cc2cccnc2n1Cc1cccc(OC(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.41
DGAT1 O75907 10/20 0.41
MAPT P10636 2/20 0.40
CNR1 P21554 1/20 0.40
F2RL3 Q96RI0 1/20 0.40
FLT1 P17948 1/20 0.40
KDR P35968 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4D Q08499 1/20 0.40
KCNQ3 O43525 1/20 0.40
KCNQ2 O43526 1/20 0.40
CYP3A4 P08684 1/20 0.39
SOAT1 P35610 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL1099735 0.91 ABL1 (0.44) PPARGF2RL3FLT1KDRABL1
SCHEMBL1101562 0.90 KCNQ3 (0.41) PPARGDGAT1MAPTCNR1KCNQ3
SCHEMBL1099159 0.90 DGAT1 (0.47) DGAT1MAPTALDH1A1MAPK1KMT2A
Trifluoroacetic Acid SCHEMBL1100995 0.90 DGAT1 (0.44) PPARGDGAT1MAPTMAPK1KMT2A
SCHEMBL1100879 0.89 MAPT (0.45) PPARGDGAT1MAPTCNR1ALDH1A1
SCHEMBL1100106 0.89 PPARG (0.42) PPARGDGAT1MAPTCNR1KCNQ3
SCHEMBL1100841 0.88 MAPT (0.46) PPARGDGAT1MAPTALDH1A1GAA
SCHEMBL1100642 0.87 PPARG (0.44) PPARGDGAT1MAPTCNR1FLT1
Trifluoroacetic Acid SCHEMBL1100561 0.87 KDM4E (0.43) PPARGDGAT1MAPTCNR1ALDH1A1
Trifluoroacetic Acid SCHEMBL1101032 0.86 DGAT1 (0.45) DGAT1MAPTCNR1ALDH1A1GAA

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 7 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
EP-2125811-B1 N-(AMINO-HETEROARYL)-1H-PYRROLOPYRIDINE-2-CARBOXAMIDES DERIVATIVES, PREPARATION THEREOF AND THEIR USE IN THERAPY SANOFI SA (FR) 2013-05-29 EP 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 PPARG 513/4885DGAT1 3777/4885MAPT 4029/4885
US-20120142669-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy ZYX, NQO2, PYCR1 PPARG 513/4885DGAT1 3777/4885MAPT 4029/4885
US-20100041634-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy ZYX, NQO2, PYCR1 PPARG 513/4885DGAT1 3777/4885MAPT 4029/4885

“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.