SCHEMBL1100645

SCHEMBL1100645

COc1cccc(Cn2c(C(=O)Nc3ccc(N4CCC4)nc3)cc3cc(F)cnc32)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 7/20 0.46
LMNA P02545 4/20 0.42
MAPK1 P28482 3/20 0.42
HSD17B10 Q99714 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KCNQ3 O43525 1/20 0.42
KCNQ2 O43526 1/20 0.42
ROCK2 O75116 1/20 0.42
GRIN1 Q05586 1/20 0.41
GRIN2B Q13224 1/20 0.41
USP2 O75604 5/20 0.40
CASP1 P29466 5/20 0.40
CASP7 P55210 5/20 0.40
MEN1 O00255 4/20 0.40
ALDH1A1 P00352 4/20 0.40
CYP3A4 P08684 4/20 0.40
KMT2A Q03164 4/20 0.40
MTOR P42345 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
SCHEMBL1100936 0.91 FASN (0.45) DGAT1LMNAKDM4ESMN1; SMN2KCNQ3
SCHEMBL1101562 0.91 KCNQ3 (0.41) DGAT1KDM4EKCNQ3KCNQ2CYP3A4
SCHEMBL1101586 0.91 DGAT1 (0.42) DGAT1LMNAMAPK1HSD17B10KDM4E
SCHEMBL1100170 0.90 KDM4E (0.51) DGAT1LMNAMAPK1HSD17B10KDM4E
SCHEMBL1100514 0.90 MAPT (0.47) DGAT1MAPK1KDM4EKCNQ3KCNQ2
SCHEMBL1099159 0.89 DGAT1 (0.47) DGAT1LMNAMAPK1HSD17B10KDM4E
SCHEMBL1100040 0.89 KCNQ2 (0.48) DGAT1KDM4ESMN1; SMN2KCNQ3KCNQ2
SCHEMBL1100478 0.89 KCNQ3 (0.47) DGAT1KCNQ3KCNQ2
SCHEMBL1100876 0.88 KCNQ2 (0.46) DGAT1LMNAMAPK1KDM4EHTT
Hydrochloric Acid SCHEMBL1099687 0.88 KCNQ2 (0.47) DGAT1KDM4ESMN1; SMN2KCNQ3KCNQ2

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 DGAT1 3777/4885LMNA 2507/4885MAPK1 4409/4885
US-20120142669-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy ZYX, NQO2, PYCR1 DGAT1 3777/4885LMNA 2507/4885MAPK1 4409/4885
US-20100041634-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy ZYX, NQO2, PYCR1 DGAT1 3777/4885LMNA 2507/4885MAPK1 4409/4885

“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.