SCHEMBL8389605

SCHEMBL8389605

NC(=O)c1cccc(-c2cnc3c(c2)CCN3)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NNMT P40261 2/20 0.64
▸ PIK3C3 Q8NEB9 1/20 0.54
▸ CCNT1 O60563 1/20 0.53
▸ CCND1 P24385 1/20 0.53
▸ CCNC P24863 1/20 0.53
▸ CDK8 P49336 1/20 0.53
▸ CDK7 P50613 1/20 0.53
▸ CDK9 P50750 1/20 0.53
▸ CCNH P51946 1/20 0.53
▸ MNAT1 P51948 1/20 0.53
▸ CDK6 Q00534 1/20 0.53
▸ ASIC3 Q9UHC3 1/20 0.52
▸ CYP11B2 P19099 1/20 0.51
▸ FYN P06241 7/20 0.49
▸ ABL1 P00519 2/20 0.49
▸ CDC7 O00311 1/20 0.49
▸ PLK4 O00444 1/20 0.49
▸ CHEK1 O14757 1/20 0.49
▸ AURKA O14965 1/20 0.49
▸ MAPK13 O15264 1/20 0.49

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
SCHEMBL10293369 0.85 NNMT (0.69) NNMTPIK3C3ASIC3CYP11B2FYN
SCHEMBL25787741 0.79 NNMT (1.00) NNMTPIK3C3ASIC3ABL1PIK3CD
SCHEMBL8385558 0.77 ASIC3 (0.61) NNMTPIK3C3CDK8CDK7CDK9
SCHEMBL8385892 0.77 PIK3CD (0.55) NNMTPIK3C3CDK8ASIC3ABL1
SCHEMBL8389157 0.77 ASIC3 (0.58) NNMTPIK3C3CDK8CDK7CDK9
SCHEMBL8388889 0.76 ASIC3 (0.54) NNMTPIK3C3CDK8ASIC3CYP11B2
SCHEMBL8385317 0.74 ASIC3 (0.57) NNMTPIK3C3ASIC3CYP11B2PIK3CD
SCHEMBL878807 0.72 CCNT1 (0.46) CCNT1CCND1CCNCCDK8CDK7
SCHEMBL1785176 0.72 ASIC3 (0.56) ASIC3ROCK2PKN2TDP2PARP10
SCHEMBL16135650 0.72 NNMT (0.53) NNMTPIK3C3ASIC3CYP11B2ABL1

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 1 patent. 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

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 NNMT 1535/4885PIK3C3 596/4885CCNT1 946/4885

“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.

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