Propionic Acid

Propionic Acid

SCHEMBL1101220

CCC(=O)O.Fc1cnc2[nH]ccc2c1

nearest known ligand 0.48

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 3/20 0.48
ITK Q08881 3/20 0.48
BRAF P15056 5/20 0.47
CDK8 P49336 8/20 0.47
CDK7 P50613 2/20 0.46
PLK4 O00444 1/20 0.46
DCLK1 O15075 1/20 0.46
ROCK2 O75116 1/20 0.46
PRKD3 O94806 1/20 0.46
MAP4K4 O95819 1/20 0.46
PAK4 O96013 1/20 0.46
CHEK2 O96017 1/20 0.46
INSR P06213 1/20 0.46
CDK1 P06493 1/20 0.46
FES P07332 1/20 0.46
ROS1 P08922 1/20 0.46
PDGFRB P09619 1/20 0.46
PDGFRA P16234 1/20 0.46
FER P16591 1/20 0.46
CDK2 P24941 1/20 0.46

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
SCHEMBL297772 0.84 CDK8 (0.55) BTKITKCDK8CDK7PLK4
Propionic Acid SCHEMBL1098913 0.82 CDK8 (0.46) BTKITKCDK8CDK7PLK4
Propionic Acid SCHEMBL8946376 0.74 AHR (0.68)
Propionic Acid SCHEMBL1100945 0.74 NUDT1 (0.68) CDK8CDK7PLK4DCLK1ROCK2
SCHEMBL299515 0.72 KDR (0.56) CDK8CDK7PLK4DCLK1ROCK2
SCHEMBL1869182 0.71 KLKB1 (0.52) CDK8CDK7PLK4DCLK1ROCK2
SCHEMBL298264 0.71 RIPK1 (0.55) CDK8CDK7PLK4DCLK1ROCK2
SCHEMBL12410716 0.70 CDK8 (0.67) CDK8CDK7PLK4DCLK1ROCK2
SCHEMBL13854148 0.70 CDK8 (0.65) BTKITKCDK8CDK7PLK4
SCHEMBL16537381 0.70 ITK (0.55) BTKITKCDK8CDK7PLK4

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 6 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
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 BTK 796/4885ITK 2116/4885BRAF 2247/4885
US-20120142669-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy ZYX, NQO2, PYCR1 BTK 796/4885ITK 2116/4885BRAF 2247/4885
US-20100041634-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy ZYX, NQO2, PYCR1 BTK 796/4885ITK 2116/4885BRAF 2247/4885

“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.