SCHEMBL3579975

SCHEMBL3579975

Cc1cc(NC(=O)c2ccc3c(c2)CCNC3)nn1Cc1ccccc1OC(F)(F)F

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 12/20 0.62
HTR2C P28335 1/20 0.50
HTR2B P41595 1/20 0.50
HDAC6 Q9UBN7 1/20 0.42
WNT1 P04628 1/20 0.41
GSK3B P49841 1/20 0.41
DYRK1A Q13627 1/20 0.41
MAP3K5 Q99683 1/20 0.40
ROCK2 O75116 2/20 0.40
ROCK1 Q13464 1/20 0.40
KMT2A Q03164 1/20 0.39
NPC1 O15118 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
Hydrochloric Acid SCHEMBL3575597 0.99 PTGER1 (0.62) PTGER1HTR2CHTR2BHDAC6WNT1
SCHEMBL3578786 0.90 PTGER1 (0.65) PTGER1WNT1GSK3BDYRK1AMAP3K5
Hydrochloric Acid SCHEMBL3583491 0.89 PTGER1 (0.66) PTGER1WNT1GSK3BDYRK1AMAP3K5
SCHEMBL3179566 0.86 PTGER1 (0.64) PTGER1WNT1GSK3BDYRK1AMAP3K5
SCHEMBL3177719 0.86 PTGER1 (0.64) PTGER1WNT1GSK3BDYRK1AMAP3K5
SCHEMBL3190545 0.85 PTGER1 (0.67) PTGER1HTR2CHTR2BWNT1GSK3B
Hydrochloric Acid SCHEMBL3176401 0.85 PTGER1 (0.64) PTGER1WNT1GSK3BDYRK1AMAP3K5
Hydrochloric Acid SCHEMBL3169945 0.84 PTGER1 (0.68) PTGER1HTR2CHTR2BWNT1GSK3B
SCHEMBL3180838 0.83 PTGER1 (0.61) PTGER1WNT1GSK3BDYRK1AMAP3K5
SCHEMBL3178665 0.83 PTGER1 (0.64) PTGER1WNT1GSK3BDYRK1AMAP3K5

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-20100048617-A1 COMPOUNDS SMITHKLINE BEECHAM CORP. 2010-02-25 US claimed
US-20100048617-A1 COMPOUNDS SMITHKLINE BEECHAM CORP. 2010-02-25 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-20100048617-A1 COMPOUNDS SCD, SCD5, CYP11B2 PTGER1 928/4885HTR2C 1718/4885HTR2B 1594/4885

“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.