SCHEMBL8344437

SCHEMBL8344437

Nc1cc(O)nc(-c2cc(Cl)ccc2F)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 1/20 0.44
PDE4D Q08499 1/20 0.44
AGPAT2 O15120 3/20 0.40
CDK9 P50750 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 3/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 2/20 0.38
CASP3 P42574 2/20 0.38
RAB9A P51151 2/20 0.38
SENP7 Q9BQF6 2/20 0.38
NFKB1 P19838 1/20 0.38
CDK5 Q00535 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
CDK5R1 Q15078 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
DPP4 P27487 1/20 0.38
PRKD3 O94806 1/20 0.38

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
SCHEMBL8344303 0.88 HTR2B (0.42) HTR2BPDE4DCDK9SMN1; SMN2NPC1
SCHEMBL9566597 0.78 HTR2B (0.70) HTR2BPDE4DAGPAT2CDK9SMN1; SMN2
SCHEMBL16424643 0.77 RECQL (0.37) HTR2BPDE4DAGPAT2CDK9SMN1; SMN2
SCHEMBL3824986 0.75 MAPT (0.42) HTR2BPDE4DCDK9SMN1; SMN2CDK5
SCHEMBL13649274 0.73 HTR2B (0.44) HTR2BPDE4DLMNADPP4PRKD3
SCHEMBL8344301 0.73 ADORA3 (0.55) KDM4EHSD17B10
SCHEMBL31649617 0.72 HSP90AA1 (0.41) HTR2BPDE4DAGPAT2CDK9LMNA
SCHEMBL26017511 0.69 ADORA2A (0.53) HTR2BPDE4DAGPAT2CDK9NPC1
SCHEMBL20648387 0.68 NPC1 (0.46) SMN1; SMN2NPC1LMNARAB9ANFKB1
SCHEMBL29805603 0.68 NPC1 (0.46) SMN1; SMN2NPC1LMNARAB9ANFKB1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9987277-B2 Carboxamide 4-[(4-pyridyl)amino] pryimidines for the treatment of hepatitis C JANSSEN SCIENCES IRELAND UC (IE) 2018-06-05 US disclosed
US-9987277-B2 Carboxamide 4-[(4-pyridyl)amino] pryimidines for the treatment of hepatitis C JANSSEN SCIENCES IRELAND UC (IE) 2018-06-05 US disclosed
US-20090247523-A1 CARBOXAMIDE 4-[(4-PYRIDYL)AMINO]PYRIMIDINES USEFUL AS HCV INHIBITORS JANSSEN SCIENCES IRELAND UC (IE) 2009-10-01 US disclosed
US-20090247523-A1 CARBOXAMIDE 4-[(4-PYRIDYL)AMINO]PYRIMIDINES USEFUL AS HCV INHIBITORS JANSSEN SCIENCES IRELAND UC (IE) 2009-10-01 US disclosed
WO-2008040778-A2 CARBOXAMIDE 4-[(4-PYRIDYL)AMINO] PYRIMIDINES FOR THE TREATMENT OF HEPATITIS C TIBOTEC PHARMACEUTICALS LTD. (IE) 2008-04-10 WO disclosed
WO-2004024159-A1 INHIBITORS OF TFGβ SCIOS INC. (US) 2004-03-25 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-20090247523-A1 CARBOXAMIDE 4-[(4-PYRIDYL)AMINO]PYRIMIDINES USEFUL AS HCV INHIBITORS HAVCR2, EIF2AK2, MAVS HTR2B 1217/4885PDE4D 1071/4885AGPAT2 2167/4885

“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.