SCHEMBL1100525

SCHEMBL1100525

O=C(Nc1ccc(N2CCC2)nc1)c1cc2cc(C(F)(F)F)cnc2n1Cc1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.51
PKM P14618 1/20 0.51
MAPT P10636 7/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
STAT3 P40763 1/20 0.46
POLB P06746 1/20 0.45
ALDH1A1 P00352 1/20 0.45
KCNQ3 O43525 1/20 0.45
KCNQ2 O43526 1/20 0.45
GALR3 O60755 1/20 0.43
NR2F2 P24468 1/20 0.43
RAB9A P51151 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRK1 P41145 1/20 0.42
NR3C1 P04150 1/20 0.42
DGAT1 O75907 1/20 0.42
CACNA1H O95180 1/20 0.42
MCHR1 Q99705 1/20 0.41

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
Trifluoroacetic Acid SCHEMBL1101210 0.97 KDM4E (0.49) KDM4EPKMMAPTSMN1; SMN2STAT3
SCHEMBL1100686 0.93 MAPT (0.51) KDM4EPKMMAPTSMN1; SMN2STAT3
SCHEMBL1099511 0.93 MAPT (0.48) KDM4EPKMMAPTSMN1; SMN2STAT3
SCHEMBL1100463 0.92 MAPT (0.47) KDM4EPKMMAPTSMN1; SMN2STAT3
SCHEMBL1100431 0.92 MAPT (0.47) KDM4EPKMMAPTSMN1; SMN2STAT3
SCHEMBL1100885 0.91 KDM4E (0.46) KDM4EPKMMAPTSMN1; SMN2STAT3
Hydrochloric Acid SCHEMBL1100020 0.91 MAPT (0.47) KDM4EPKMMAPTSMN1; SMN2STAT3
SCHEMBL1100295 0.91 MAPT (0.47) KDM4EPKMMAPTSMN1; SMN2STAT3
Trifluoroacetic Acid SCHEMBL1098452 0.90 MAPT (0.48) KDM4EPKMMAPTSMN1; SMN2STAT3
SCHEMBL1099937 0.90 KCNQ3 (0.48) KDM4EPKMMAPTSMN1; SMN2KCNQ3

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-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

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 KDM4E 804/4885PKM 869/4885MAPT 4029/4885
US-20120142669-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy ZYX, NQO2, PYCR1 KDM4E 804/4885PKM 869/4885MAPT 4029/4885
US-20100041634-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy ZYX, NQO2, PYCR1 KDM4E 804/4885PKM 869/4885MAPT 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.