SCHEMBL22920147

SCHEMBL22920147

O=C(Nc1ccccc1)c1cn(C2CCCCC2)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 3/20 0.50
CDK5R1 Q15078 3/20 0.50
PTPN11 Q06124 1/20 0.46
HPGD P15428 1/20 0.46
POLB P06746 1/20 0.44
CDK4 P11802 1/20 0.44
CCND1 P24385 1/20 0.44
EGFR P00533 2/20 0.44
ERBB2 P04626 1/20 0.44
MET P08581 1/20 0.44
KDR P35968 1/20 0.44
MERTK Q12866 1/20 0.44
ATR Q13535 1/20 0.44
RAB9A P51151 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 3/20 0.43
ALDH1A1 P00352 2/20 0.43
EPHX2 P34913 2/20 0.43
EPHX1 P07099 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL18367759 0.80 CDK5 (0.47) CDK5CDK5R1POLBRAB9AALDH1A1
SCHEMBL2327699 0.78 CPB2 (0.47) CDK5CDK5R1SMN1; SMN2KDM4EGSK3B
SCHEMBL2331925 0.77 CPB2 (0.45) CDK5CDK5R1SMN1; SMN2KDM4EGSK3B
SCHEMBL6504137 0.75 CPB2 (0.47) CDK5CDK5R1GSK3B
SCHEMBL28070514 0.75 CPB2 (0.44) CDK5CDK5R1SMN1; SMN2KDM4EGSK3B
SCHEMBL12985681 0.74 CDK5 (0.48) CDK5CDK5R1NTRK1GSK3B
SCHEMBL14401108 0.73 POLB (0.53) HPGDPOLBEGFRKDRRAB9A
Hydrochloric Acid SCHEMBL12985270 0.72 CDK5 (0.47) CDK5CDK5R1NTRK1GSK3B
SCHEMBL1269713 0.71 SMYD3 (0.42) CDK5CDK5R1GSK3B
SCHEMBL22920153 0.70 NPC1 (0.45) CDK5CDK5R1RAB9ASMN1; SMN2NPC1

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-20220289720-A1 ARYL SULFONAMIDES AS SMALL MOLECULE STAT3 INHIBITORS UNIVERSITY OF HAWAII 2022-09-15 US disclosed
WO-2021016333-A1 ARYL SULFONAMIDES AS SMALL MOLECULE STAT3 INHIBITORS UNIVERSITY OF HAWAII (US) 2021-01-28 WO 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-20220289720-A1 ARYL SULFONAMIDES AS SMALL MOLECULE STAT3 INHIBITORS STAT3, JAK2, STAT6 CDK5 793/4885CDK5R1 920/4885PTPN11 58/4885

“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.