SCHEMBL14034151

SCHEMBL14034151

COc1ccc(CN2CC3(CCCC3)n3c4c(c(O)c3C2=O)C(=O)N(Cc2ccc(F)cc2)CC4)c(OC)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 3/20 0.41
TACR1 P25103 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PTBP1 P26599 1/20 0.36
TSHR P16473 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRL1 P41146 1/20 0.36
P2RX7 Q99572 2/20 0.36

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
SCHEMBL4750895 0.83 TACR1 (0.44) EGLN1TACR1HDAC3HDAC4HDAC1
SCHEMBL14034164 0.81 AKR1B1 (0.39) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4743228 0.81 TACR1 (0.41) EGLN1TACR1HDAC3HDAC4HDAC1
SCHEMBL4750468 0.80 TACR1 (0.41) EGLN1TACR1HDAC3HDAC4HDAC1
SCHEMBL4752889 0.80 TACR1 (0.44) EGLN1TACR1HDAC3HDAC4HDAC1
SCHEMBL4749125 0.79 EGLN1 (0.41) EGLN1TACR1HDAC3HDAC4HDAC1
SCHEMBL4749366 0.78 TACR1 (0.44) EGLN1TACR1MEN1KMT2APTBP1
SCHEMBL14033927 0.76 OPRM1 (0.38) OPRM1OPRL1ALDH1A1
SCHEMBL14033929 0.74 AKR1B1 (0.35)
SCHEMBL14034177 0.73 TP53 (0.39) MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7435735-B2 Hydroxy pyridopyrrolopyrazine dione compounds useful as HIV integrase inhibitors MERCK & CO., INC. (US) 2008-10-14 US disclosed
US-7435735-B2 Hydroxy pyridopyrrolopyrazine dione compounds useful as HIV integrase inhibitors MERCK & CO., INC. (US) 2008-10-14 US disclosed
US-20070093496-A1 Hydroxy pyridopyrrolopyrazine dione compounds useful as hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2007-04-26 US disclosed
US-20070093496-A1 Hydroxy pyridopyrrolopyrazine dione compounds useful as hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2007-04-26 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-20070093496-A1 Hydroxy pyridopyrrolopyrazine dione compounds useful as hiv integrase inhibitors DHPS, DPYD, TYMP EGLN1 1171/4885TACR1 3241/4885HDAC3 3413/4885

“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.