SCHEMBL1101587

SCHEMBL1101587

COc1ccc(Cn2c(C(=O)Nc3ccc(N4CC(O)C4)nc3)cc3cccnc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.44
TP53 P04637 5/20 0.43
HTT P42858 2/20 0.43
THRB P10828 1/20 0.42
MAPT P10636 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
FASN P49327 1/20 0.41
LMNA P02545 4/20 0.41
TRPV1 Q8NER1 1/20 0.41
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
TSHR P16473 2/20 0.40
ALDH1A1 P00352 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 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
SCHEMBL1099248 0.92 ROCK2 (0.43) TP53THRBMAPTLMNAMAPK1
SCHEMBL1100421 0.91 RAB9A (0.41) RAB9ATP53MAPTFASNTRPV1
SCHEMBL1100061 0.90 FASN (0.45) RAB9ATP53HTTTHRBMAPT
SCHEMBL1101212 0.90 CNR1 (0.48) TP53THRBMAPTTRPV1POLB
SCHEMBL1100473 0.90 CNR1 (0.45) TRPV1KDM4EMEN1KMT2A
SCHEMBL1101081 0.88 CNR2 (0.44) RAB9ATP53MAPTSMN1; SMN2FASN
Trifluoroacetic Acid SCHEMBL1100882 0.87 ROCK2 (0.40) HTTMAPTSMN1; SMN2LMNATRPV1
SCHEMBL1099629 0.86 GAA (0.45) RAB9ATHRBMAPTFASNLMNA
SCHEMBL1100738 0.86 TRPV1 (0.45) HTTTRPV1ALDH1A1KDM4EHPGD
SCHEMBL1100992 0.86 NR3C1 (0.43) HTTMAPTSMN1; SMN2FASNLMNA

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 RAB9A 2711/4885TP53 2767/4885HTT 2883/4885
US-20120142669-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy ZYX, NQO2, PYCR1 RAB9A 2711/4885TP53 2767/4885HTT 2883/4885
US-20100041634-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy ZYX, NQO2, PYCR1 RAB9A 2711/4885TP53 2767/4885HTT 2883/4885

“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.