SCHEMBL298863

SCHEMBL298863

O=C(O)c1cc2cc(C(F)(F)F)cnc2n1Cc1ccncc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR9 P51686 9/20 0.51
CCR2 P41597 4/20 0.48
GRIN1 Q05586 2/20 0.44
GRIN2B Q13224 2/20 0.44
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NTRK1 P04629 1/20 0.41
ABCB11 O95342 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
SORT1 Q99523 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
SCHEMBL3114790 0.91 CCR2 (0.51) CCR9CCR2ABCB11
SCHEMBL2545450 0.85 NOD2 (0.44) GRIN1GRIN2BMEN1KMT2APTGDR2
SCHEMBL297540 0.84 CCR2 (0.46) CCR9CCR2GRIN1GRIN2BMEN1
SCHEMBL974497 0.83 CCR2 (0.46) CCR9CCR2GRIN1GRIN2B
SCHEMBL1100326 0.82 FFAR1 (0.41) CCR9GRIN1GRIN2BMEN1KMT2A
SCHEMBL2894997 0.81 CCR2 (0.71) CCR9CCR2ABCB11
SCHEMBL17997439 0.80 USP2 (0.41) CCR9CCR2MEN1KMT2ANTRK1
SCHEMBL15361987 0.79 CCR2 (0.71) CCR9CCR2
SCHEMBL298062 0.78 CCR2 (0.52) CCR9CCR2MEN1KMT2AABCB11
SCHEMBL298018 0.78 TRPV1 (0.46) KMT2A

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 8 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
EP-2106401-B1 DERIVATIVES OF PYRROLOPYRIDINE-2-CARBOXAMIDS, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF SANOFI SA (FR) 2012-03-14 EP 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 CCR9 2733/4885CCR2 1407/4885GRIN1 875/4885
US-20120142669-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy ZYX, NQO2, PYCR1 CCR9 2733/4885CCR2 1407/4885GRIN1 875/4885
US-20100041634-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy ZYX, NQO2, PYCR1 CCR9 2733/4885CCR2 1407/4885GRIN1 875/4885

“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.