SCHEMBL8388698

SCHEMBL8388698

CCCNC(=S)NCc1ccncc1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 1/20 0.55
LMNA P02545 3/20 0.53
ALDH1A1 P00352 3/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
PKM P14618 1/20 0.53
GAA P10253 1/20 0.51
NAMPT P43490 2/20 0.51
KDM4E B2RXH2 1/20 0.50
POLB P06746 1/20 0.50
MAPT P10636 2/20 0.49
LSS P48449 1/20 0.49
MAPK1 P28482 1/20 0.49
HPGD P15428 1/20 0.48
ALOX12 P18054 1/20 0.48

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
SCHEMBL12980293 0.87 TRPV1 (0.55) CA9GAANAMPT
SCHEMBL14845832 0.86 ALDH1A1 (0.59) CA9LMNAALDH1A1SMN1; SMN2PKM
SCHEMBL13360297 0.82 POLB (0.57) ALDH1A1SMN1; SMN2PKMGAAPOLB
SCHEMBL18159147 0.82 ALOX12 (0.74) LMNAALDH1A1SMN1; SMN2PKMGAA
SCHEMBL22099652 0.81 KMT2A (0.54) LMNAALDH1A1SMN1; SMN2PKMGAA
SCHEMBL7946650 0.78 CA9 (0.54) CA9LMNAALDH1A1SMN1; SMN2PKM
SCHEMBL12049595 0.77 TRPV1 (0.59)
SCHEMBL17178075 0.76 CA9 (0.54) CA9LMNAALDH1A1SMN1; SMN2PKM
SCHEMBL3696985 0.74 POLB (0.49) CA9LMNAALDH1A1SMN1; SMN2PKM
SCHEMBL3741348 0.74 ALDH1A1 (0.50) LMNAALDH1A1SMN1; SMN2GAANAMPT

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-20130261117-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2013-10-03 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 (2 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 CA9 4688/4885LMNA 2771/4885ALDH1A1 3144/4885
US-20130261117-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 CA9 4675/4885LMNA 2202/4885ALDH1A1 4348/4885

“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.