SCHEMBL3985644

SCHEMBL3985644

CC1CN(C)C(=O)c2c(O)c3c(=O)n(Cc4ccc(F)cc4)ncc3n21

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PKM P14618 5/20 0.41
MITF O75030 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PKLR P30613 4/20 0.40
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 2/20 0.38
TP53 P04637 4/20 0.35
BRD4 O60885 2/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
POLB P06746 3/20 0.34
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
KAT2B Q92831 1/20 0.33

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
SCHEMBL1386053 0.89 FSCN1 (0.38) PKMMITFHTTRAB9ANPSR1
SCHEMBL3986574 0.83 SMN1; SMN2 (0.40) PKMMITFHTTRAB9ANPSR1
SCHEMBL1384303 0.82 PKM (0.42) PKMHTTPKLRMAPTTP53
SCHEMBL3983463 0.81 PKM (0.44) PKMMITFHTTRAB9ANPSR1
SCHEMBL1386512 0.79 PKM (0.39) PKMMITFHTTRAB9ANPSR1
SCHEMBL13842813 0.78 GRM2 (0.35) PKMMITFHTTRAB9ANPSR1
SCHEMBL13842706 0.78 GRM2 (0.35) PKMMITFHTTRAB9ANPSR1
SCHEMBL3985043 0.75 PKM (0.35) PKMMITFHTTRAB9ANPSR1
SCHEMBL14034176 0.73 GRM2 (0.38) HTTTDP1SMN1; SMN2POLBLMNA
SCHEMBL1385610 0.72 PKM (0.41) PKMMITFHTTRAB9ANPSR1

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 12 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
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-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
EP-1756114-A2 HIV INTEGRASE INHIBITORS Merck and Co., Inc. (US) 2007-02-28 EP disclosed
WO-2005110414-A2 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2005-11-24 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-20080287394-A1 Hiv Integrase Inhibitors DHPS, DPYD, TYMP PKM 1268/4885MITF 4678/4885HTT 3280/4885

“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.