SCHEMBL1100162

SCHEMBL1100162

Cc1ccc(Cn2c(C(=O)Nc3ccc(N4CCC4)nc3)cc3ccncc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
MAPT P10636 5/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 1/20 0.46
FASN P49327 1/20 0.43
TP53 P04637 1/20 0.43
CACNA1H O95180 1/20 0.43
KCNQ3 O43525 1/20 0.42
KCNQ2 O43526 1/20 0.42
DGAT1 O75907 1/20 0.42
CLK2 P49760 1/20 0.41
CLK3 P49761 1/20 0.41
DYRK1A Q13627 1/20 0.41
KDM4E B2RXH2 2/20 0.40
WNT1 P04628 1/20 0.39
WNT3A P56704 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KLKB1 P03952 1/20 0.39
DNM1L O00429 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
SCHEMBL1101489 0.92 KCNQ3 (0.47) RAB9AMAPTCYP1A2CYP2C19FASN
SCHEMBL1101472 0.91 DGAT1 (0.45) RAB9AL3MBTL1MAPTCYP1A2FASN
SCHEMBL1099301 0.91 ECE1 (0.46) RAB9AL3MBTL1MAPTCYP1A2CYP2C19
SCHEMBL1100254 0.90 MAPT (0.42) RAB9AL3MBTL1MAPTCYP1A2CYP2C19
SCHEMBL1100851 0.87 CCR2 (0.43) RAB9AMAPTFASNTP53KCNQ3
SCHEMBL1100884 0.85 DGAT1 (0.45) MAPTFASNTP53DGAT1KDM4E
Trifluoroacetic Acid SCHEMBL1100779 0.85 SLC2A1 (0.41) RAB9AL3MBTL1MAPTCYP1A2CYP2C19
SCHEMBL1100783 0.84 L3MBTL1 (0.47) RAB9AL3MBTL1MAPTCYP1A2CYP2C19
SCHEMBL1100777 0.83 DGAT1 (0.40) RAB9AL3MBTL1MAPTCYP1A2CYP2C19
SCHEMBL1100186 0.83 PPARG (0.46) MAPTDGAT1KDM4ESMN1; SMN2

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 2711/4885L3MBTL1 4443/4885MAPT 4029/4885
US-20120142669-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy ZYX, NQO2, PYCR1 RAB9A 2711/4885L3MBTL1 4443/4885MAPT 4029/4885
US-20100041634-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy ZYX, NQO2, PYCR1 RAB9A 2711/4885L3MBTL1 4443/4885MAPT 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.