SCHEMBL6707903

SCHEMBL6707903

O=C(Nc1ccc(C(F)(F)F)cc1)c1c(C2CC2)noc1-c1ccccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 2/20 0.48
NR3C1 P04150 1/20 0.47
GPBAR1 Q8TDU6 1/20 0.44
IL2 P60568 1/20 0.44
LMNA P02545 1/20 0.43
FPR2 P25090 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
RORC P51449 1/20 0.43
MGAM O43451 1/20 0.43
GAA P10253 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
TRPV1 Q8NER1 1/20 0.42
KCNJ5 P48544 1/20 0.42
KCNJ3 P48549 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41

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
SCHEMBL6707279 0.87 GAA (0.45) EPAS1GPBAR1LMNAMEN1KMT2A
SCHEMBL7465248 0.86 NR3C1 (0.40) EPAS1NR3C1GPBAR1IL2LMNA
SCHEMBL6707983 0.85 EPAS1 (0.48) EPAS1GPBAR1LMNAMEN1KMT2A
SCHEMBL6709091 0.83 EPAS1 (0.56) EPAS1GPBAR1IL2LMNAMEN1
SCHEMBL6707894 0.80 NPC1 (0.63) LMNAMEN1KMT2ATDP1GAA
SCHEMBL6709425 0.80 EPAS1 (0.47) EPAS1NR3C1IL2FPR2MEN1
SCHEMBL6707303 0.78 ALDH1A1 (0.46) EPAS1LMNAMEN1KMT2ATDP1
SCHEMBL6707288 0.77 NPC1 (0.48) GPBAR1LMNAMEN1KMT2ATDP1
SCHEMBL30394998 0.73 EPAS1 (0.72) EPAS1LMNAMEN1KMT2ARXFP1
SCHEMBL4637951 0.70 TACR1 (0.35) EPAS1GPBAR1LMNARORCGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040102489-A1 Heteroarylcarboxamide compounds active against protein tyrosine kinase related disorders SUGEN, INC. 2004-05-27 US disclosed
US-6649635-B2 For therapy of cancer SUGEN, INC. 2003-11-18 US disclosed
US-20020065283-A1 Heteroarylcarboxamide compounds active against protein tyrosine kinase related disorders MCMAHON GERALD (US) 2002-05-30 US disclosed
EP-1012150-A4 HETEROARYLCARBOXAMIDE COMPOUNDS ACTIVE AGAINST PROTEIN TYROSINE KINASE RELATED DISORDERS SUGEN INC (US) 2002-05-29 EP disclosed
US-6316479-B1 ANTICANCER AGENTS SUGEN, INC. 2001-11-13 US disclosed
EP-1012150-A1 HETEROARYLCARBOXAMIDE COMPOUNDS ACTIVE AGAINST PROTEIN TYROSINE KINASE RELATED DISORDERS Sugen, Inc. (US) 2000-06-28 EP disclosed
WO-1998052944-A1 HETEROARYLCARBOXAMIDE COMPOUNDS ACTIVE AGAINST PROTEIN TYROSINE KINASE RELATED DISORDERS SUGEN, INC. (US) 1998-11-26 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 (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-20020065283-A1 Heteroarylcarboxamide compounds active against protein tyrosine kinase related disorders ABL1, ERBB2, PRKDC EPAS1 1776/4885NR3C1 3377/4885GPBAR1 1855/4885
US-20040102489-A1 Heteroarylcarboxamide compounds active against protein tyrosine kinase related disorders ABL1, ERBB2, PRKDC EPAS1 1776/4885NR3C1 3377/4885GPBAR1 1855/4885

“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.