SCHEMBL7984667

SCHEMBL7984667

COCc1ccccc1-c1c[nH]c2ncccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 4/20 0.50
BRD4 O60885 1/20 0.50
IKBKE Q14164 3/20 0.49
TBK1 Q9UHD2 3/20 0.49
PDPK1 O15530 2/20 0.49
GPR84 Q9NQS5 1/20 0.49
RET P07949 2/20 0.48
CCNB2 O95067 1/20 0.47
CDK1 P06493 1/20 0.47
CCNB1 P14635 1/20 0.47
CCNB3 Q8WWL7 1/20 0.47
CDC7 O00311 5/20 0.47
MET P08581 1/20 0.47
DBF4 Q9UBU7 1/20 0.47
CDK2 P24941 3/20 0.46
GSK3B P49841 3/20 0.46
ROCK2 O75116 2/20 0.46
PIM1 P11309 2/20 0.46
PRKACA P17612 2/20 0.46
HIPK2 Q9H2X6 2/20 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
SCHEMBL20846291 0.84 CCNB2 (0.59) TGFBR1BRD4IKBKETBK1PDPK1
SCHEMBL859006 0.82 GPR84 (0.67) BRD4GPR84METMAP2K1
SCHEMBL857542 0.78 BRD4 (0.64) TGFBR1BRD4IKBKETBK1PDPK1
SCHEMBL5618155 0.78 TGFBR1 (0.71) TGFBR1BRD4IKBKETBK1PDPK1
SCHEMBL20846153 0.78 CDC7 (0.51) TGFBR1IKBKETBK1PDPK1GPR84
SCHEMBL20846165 0.77 BRD4 (0.58) TGFBR1BRD4IKBKETBK1PDPK1
SCHEMBL858410 0.76 TGFBR1 (0.57) TGFBR1BRD4IKBKETBK1PDPK1
SCHEMBL857733 0.76 TGFBR1 (0.51) TGFBR1BRD4IKBKETBK1PDPK1
SCHEMBL30610297 0.74 MAP2K1 (0.70) TGFBR1BRD4IKBKETBK1PDPK1
SCHEMBL20846298 0.74 MAP2K1 (0.70) TGFBR1BRD4IKBKETBK1PDPK1

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 TGFBR1 2796/4885BRD4 909/4885IKBKE 75/4885

“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.