SCHEMBL1100622

SCHEMBL1100622

O=C(Nc1ccc(N2CC(OC(=O)C(F)(F)F)C2)nc1)c1cc2cc(F)cnc2n1Cc1cccc(OC(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMO Q99835 2/20 0.40
PGR P06401 1/20 0.40
GPR183 P32249 1/20 0.40
DGAT1 O75907 3/20 0.38
ABL1 P00519 5/20 0.37
CNR1 P21554 6/20 0.37
PPARG P37231 1/20 0.36
EPHX2 P34913 1/20 0.35
FLT1 P17948 1/20 0.35
KDR P35968 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 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
SCHEMBL1100135 0.91 ABL1 (0.43) SMOPGRGPR183ABL1CNR1
Trifluoroacetic Acid SCHEMBL1100621 0.90 ABL1 (0.42) SMOPGRGPR183DGAT1ABL1
SCHEMBL1101562 0.88 KCNQ3 (0.41) DGAT1ABL1CNR1PPARG
SCHEMBL1100566 0.87 CNR2 (0.41) DGAT1CNR1
SCHEMBL1100883 0.84 DGAT1 (0.40) DGAT1PPARGGRIN1GRIN2B
SCHEMBL1099807 0.84 DGAT1 (0.38) DGAT1
SCHEMBL1100807 0.83 ABL1 (0.43) SMOPGRGPR183ABL1CNR1
SCHEMBL1101586 0.82 DGAT1 (0.42) DGAT1GRIN1GRIN2B
SCHEMBL1099735 0.81 ABL1 (0.44) SMOPGRGPR183ABL1PPARG
SCHEMBL1100294 0.81 KDM4E (0.41) SMODGAT1CNR1

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 SMO 4344/4885PGR 3627/4885GPR183 2468/4885
US-20120142669-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy ZYX, NQO2, PYCR1 SMO 4344/4885PGR 3627/4885GPR183 2468/4885
US-20100041634-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy ZYX, NQO2, PYCR1 SMO 4344/4885PGR 3627/4885GPR183 2468/4885

“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.