SCHEMBL3983983

SCHEMBL3983983

CCn1nc(C)c2c(c(O)c3n2CCN(Cc2ccc(F)cc2)C3=O)c1=O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 4/20 0.44
KCNH2 Q12809 3/20 0.44
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
RAB9A P51151 1/20 0.37
POLB P06746 3/20 0.37
LMNA P02545 2/20 0.37
SCD O00767 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
PKM P14618 1/20 0.37
PKLR P30613 1/20 0.37
TP53 P04637 2/20 0.36
CYP2D6 P10635 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
SLC2A1 P11166 1/20 0.35
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL3992601 0.90 KCNH2 (0.45) GRM2KCNH2MEN1KMT2ARAB9A
SCHEMBL1387122 0.90 GRM2 (0.43) GRM2KCNH2MEN1KMT2ARAB9A
SCHEMBL3985751 0.88 GRM2 (0.45) GRM2KCNH2MEN1KMT2ARAB9A
SCHEMBL3986296 0.88 KCNH2 (0.41) GRM2KCNH2MEN1KMT2ARAB9A
SCHEMBL3983532 0.84 PKM (0.44) GRM2KCNH2KMT2AKDM4EMAPT
SCHEMBL1384342 0.82 KCNH2 (0.41) GRM2KCNH2MEN1KMT2ARAB9A
SCHEMBL3982142 0.81 KCNH2 (0.42) GRM2KCNH2MEN1KMT2ARAB9A
SCHEMBL3985740 0.80 MEN1 (0.43) GRM2KCNH2MEN1KMT2ARAB9A
SCHEMBL16253840 0.80 GRM2 (0.46) GRM2KCNH2MEN1KMT2ARAB9A
SCHEMBL4749017 0.79 KCNH2 (0.44) GRM2KCNH2MEN1KMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7538112-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2009-05-26 US claimed
US-20080287394-A1 Hiv Integrase Inhibitors MERCK & CO., INC. (US) 2008-11-20 US claimed
EP-1756114-B1 HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME (US) 2014-11-19 EP disclosed
US-7538112-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2009-05-26 US disclosed
US-7538112-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2009-05-26 US disclosed
US-20080287394-A1 Hiv Integrase Inhibitors MERCK & CO., INC. (US) 2008-11-20 US disclosed
US-20080287394-A1 Hiv Integrase Inhibitors MERCK & CO., INC. (US) 2008-11-20 US disclosed
US-20080287394-A1 Hiv Integrase Inhibitors MERCK & CO., INC. (US) 2008-11-20 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-20080287394-A1 Hiv Integrase Inhibitors DHPS, DPYD, TYMP GRM2 4663/4885KCNH2 1197/4885MEN1 4592/4885

“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.