SCHEMBL1100706

SCHEMBL1100706

O=C(O)c1cc2cc(F)cnc2n1Cc1cccc(F)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 8/20 0.47
KDM4E B2RXH2 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
ATM Q13315 1/20 0.45
MAPT P10636 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM4C Q9H3R0 1/20 0.42
GPR35 Q9HC97 1/20 0.42
FABP3 P05413 1/20 0.41
FEN1 P39748 1/20 0.41
CNR1 P21554 1/20 0.41
PDE1C Q14123 1/20 0.41
FABP4 P15090 1/20 0.40
ENPP2 Q13822 1/20 0.40

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
SCHEMBL3119623 0.91 CCR2 (0.55) CCR2KDM4ECYP1A2CYP3A4CYP2C19
SCHEMBL2999654 0.91 F10 (0.45) CCR2KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL974497 0.88 CCR2 (0.46) CCR2KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL2815078 0.85 ATM (0.62) CCR2KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL2815850 0.84 MAPT (0.49) KDM4ECYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL297540 0.84 CCR2 (0.46) CCR2GPR35
SCHEMBL1099674 0.81 FFAR1 (0.42) KDM4ECYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL2994597 0.80 CCR2 (0.41) CCR2KDM4ECYP1A2CYP3A4CYP2C19
SCHEMBL832189 0.80 CCR2 (0.71) CCR2KDM4EGPR35
SCHEMBL4392732 0.80 GPR35 (0.53) CCR2MAPTL3MBTL1GPR35

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-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-8716272-B2 N-(amino-heteroaryI)-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
EP-1912644-B1 N-(ARYLALKYL)-1H-PYRROLOPYRIDINE-2-CARBOXAMIDE DERIVATIVES, PREPARATION AND USE THEREOF SANOFI AVENTIS (FR) 2009-12-16 EP 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 CCR2 1407/4885KDM4E 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 CCR2 1407/4885KDM4E 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 CCR2 1407/4885KDM4E 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.