SCHEMBL7948627

SCHEMBL7948627

CCCCN(C)C(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ccc(OC)cc23)c1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.44
CYP2C9 P11712 6/20 0.44
KMT2A Q03164 3/20 0.44
CYP2C19 P33261 3/20 0.44
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP1A2 P05177 1/20 0.44
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
MITF O75030 1/20 0.43
RAB9A P51151 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
BRAF P15056 2/20 0.41
BMPR1B O00238 1/20 0.41
PLK4 O00444 1/20 0.41
PIR O00625 1/20 0.41
AURKA O14965 1/20 0.41
DCLK1 O15075 1/20 0.41
EPHB6 O15197 1/20 0.41
RIPK2 O43353 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
SCHEMBL412486 0.87 CYP2C9 (0.53) CYP2C9CYP2C19BRAFBMPR1BPLK4
SCHEMBL413808 0.80 BRAF (0.65) CYP2C9CYP2C19BRAFBMPR1BPLK4
SCHEMBL415271 0.78 BRAF (0.51) CYP2C9CYP2C19BRAFBMPR1BPLK4
SCHEMBL7940354 0.75 ALDH1A1 (0.47) NR4A2CYP2C9KMT2AMEN1ALDH1A1
SCHEMBL413797 0.71 BRAF (0.54) CYP2C9CYP2C19BRAFBMPR1BPLK4
SCHEMBL859072 0.71 BRAF (0.56) CYP2C9CYP2C19BRAFBMPR1BPLK4
SCHEMBL411232 0.69 BRAF (0.60) CYP2C9CYP2C19BRAFBMPR1BPLK4
SCHEMBL27908679 0.69 NR4A2 (0.77) NR4A2CYP2C9KMT2ACYP2C19MEN1
SCHEMBL297842 0.68 BRAF (0.71) CYP2C9CYP2C19BRAFBMPR1BPLK4
SCHEMBL18289655 0.66 BRAF (0.67) CYP2C9CYP2C19BRAFBMPR1BPLK4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100249118-A1 protein kinase modulators such as Propane-1-sulfonic acid [2,4-difluoro-3-(5-ethoxy-1H-pyrrolo[1,3-b]pyridine-3-carbonyl)-phenyl]-amide, used to regulate signal transduction cascades, involved in the control of physiological functions including cellular growth and proliferation; anticarcinogenic agents PLEXXIKON INC. 2010-09-30 US disclosed
US-20100249118-A1 protein kinase modulators such as Propane-1-sulfonic acid [2,4-difluoro-3-(5-ethoxy-1H-pyrrolo[1,3-b]pyridine-3-carbonyl)-phenyl]-amide, used to regulate signal transduction cascades, involved in the control of physiological functions including cellular growth and proliferation; anticarcinogenic agents PLEXXIKON INC. 2010-09-30 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 (1 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-20100249118-A1 protein kinase modulators such as Propane-1-sulfonic acid [2,4-difluoro-3-(5-ethoxy-1H-pyrrolo[1,3-b]pyridine-3-carbonyl)-phenyl]-amide, used to regulate signal transduction cascades, involved in the control of physiological functions including cellular growth and proliferation; anticarcinogenic agents MAP4K1, MAP4K2, MAP3K1 NR4A2 2391/4885CYP2C9 4869/4885KMT2A 2346/4885

“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.