SCHEMBL30549447

SCHEMBL30549447

Nc1cccc2c1ncc1c[nH]nc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.42
ALDH1A1 P00352 4/20 0.38
CYP3A4 P08684 3/20 0.38
HPGD P15428 3/20 0.38
TSHR P16473 2/20 0.38
HSD17B10 Q99714 2/20 0.38
KEAP1 Q14145 1/20 0.38
KDM4E B2RXH2 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
EGFR P00533 1/20 0.35
ELANE P08246 1/20 0.34
CLK1 P49759 1/20 0.34
CDK5 Q00535 1/20 0.34
CDK5R1 Q15078 1/20 0.34
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
APAF1 O14727 1/20 0.33
TDP2 O95551 1/20 0.33
MAPT P10636 1/20 0.33
CASP3 P42574 1/20 0.33

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
SCHEMBL30951595 0.77 KDM4E (0.52) KDM4ECYP1A2GPR3PDPK1
SCHEMBL1727666 0.77 KDM4E (0.52) KDM4ECYP1A2GPR3PDPK1
SCHEMBL3080026 0.77 ALDH1A1 (0.50) PARP1ALDH1A1CYP3A4HPGDTSHR
SCHEMBL13724990 0.76 CYP3A4 (0.38) PARP1ALDH1A1CYP3A4HPGDTSHR
SCHEMBL22333782 0.72 ALDH1A1 (0.50) PARP1ALDH1A1CYP3A4HPGDTSHR
SCHEMBL4932780 0.71 LMNA (0.40) PARP1CYP3A4TSHRKDM4ETDP1
SCHEMBL5201632 0.69 ALDH1A1 (0.46) ALDH1A1CYP3A4HPGDTSHRHSD17B10
SCHEMBL5741090 0.67 KDM4E (0.52) PARP1ALDH1A1CYP3A4HSD17B10KDM4E
SCHEMBL3227604 0.66 GABRA1 (0.59)
SCHEMBL29072533 0.65 PI4KA (0.52) PARP1ALDH1A1CYP3A4HPGDTSHR

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-20230242546-A1 SUBSTITUTED PYRIDINES, PYRIDAZINES, PYRIMIDINES, AND 1,2,4-TRIAZINES AS TYK2 INHIBITORS SUDO BIOSCIENCES LIMITED (GB) 2023-08-03 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-20230242546-A1 SUBSTITUTED PYRIDINES, PYRIDAZINES, PYRIMIDINES, AND 1,2,4-TRIAZINES AS TYK2 INHIBITORS TYK2, PDXK, JAK1 PARP1 630/4885ALDH1A1 4255/4885CYP3A4 1736/4885

“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.