Sugi Predict

Sugi Predict / Compounds / SCHEMBL291342

SCHEMBL291342

SCHEMBL291342

[CH2]Cc1cc2ccccc2nn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.46
▸ ALDH1A1 P00352 3/20 0.44
▸ HPGD P15428 3/20 0.44
▸ MAPT P10636 2/20 0.44
▸ GLA P06280 2/20 0.44
▸ ACHE P22303 1/20 0.44
▸ NQO2 P16083 1/20 0.38
▸ KMT2A Q03164 2/20 0.36
▸ TLR8 Q9NR97 5/20 0.36
▸ GPR3 P46089 1/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ PDGFRB P09619 1/20 0.35
▸ PDGFRA P16234 1/20 0.35
▸ PDPK1 O15530 1/20 0.34
▸ GAA P10253 2/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ HTR3A P46098 1/20 0.34
▸ STAT3 P40763 1/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ LMNA P02545 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
SCHEMBL3071109 0.85 ALDH1A1 (0.50) KDM4EALDH1A1HPGDMAPTGLA
SCHEMBL3063629 0.83 KDM4E (0.48) KDM4EALDH1A1HPGDMAPTGLA
SCHEMBL13230292 0.79 KDM4E (0.46) KDM4EALDH1A1HPGDMAPTGLA
SCHEMBL9934343 0.79 KDM4E (0.46) KDM4EALDH1A1HPGDMAPTGLA
SCHEMBL8161366 0.79 KDM4E (0.46) KDM4EALDH1A1HPGDMAPTGLA
SCHEMBL19952669 0.79 KDM4E (0.46) KDM4EALDH1A1HPGDMAPTGLA
SCHEMBL9591117 0.79 KMT2A (0.48) KDM4EALDH1A1HPGDMAPTGLA
SCHEMBL12737723 0.79 KDM4E (0.50) KDM4EALDH1A1HPGDMAPTGLA
SCHEMBL8523726 0.79 KDM4E (0.42) KDM4EALDH1A1HPGDMAPTGLA
SCHEMBL3079638 0.76 KDM4E (0.43) KDM4EALDH1A1HPGDMAPTGLA

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2266958-B1 Antiviral agent SHIONOGI & CO (JP) 2017-03-15 — — EP disclosed
US-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 — — US disclosed
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 — — US disclosed
EP-3042894-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2016-07-13 — — EP disclosed
US-20150202208-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2015-07-23 — — US disclosed
EP-2033952-B1 Nitrogen-containing Heteroaryl compounds having HIV Integrase Inhibitory Activity SHIONOGI & CO (JP) 2012-08-29 — — EP disclosed
EP-1422218-B1 ANTIVIRAL AGENT SHIONOGI & CO (JP) 2012-03-21 — — EP disclosed
EP-2321319-B1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES INC (US) 2012-03-14 — — EP disclosed
EP-2181985-B1 Antiviral Agent SHIONOGI & CO (JP) 2011-10-26 — — EP disclosed
US-7998950-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2011-08-16 — — US disclosed
US-20060293334-A1 Nitrogen-containing heteroaryl compounds having inhibitory activity against HIV integrase FUJI MASAHIRO 2006-12-28 — — US disclosed
US-7148237-B2 Nitrogen-containing heteroaryl compounds having HIV integrase inhibitory activity SHIONOGI & CO., LTD. (JP) 2006-12-12 — — US disclosed
US-20060247212-A1 Heterocyclic compounds having inhibitory activity against HIV integrase MURAI HITOSHI 2006-11-02 — — US disclosed
EP-1698628-A1 HYDROXYPYRIMIDINONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY Shionogi Co., Ltd. (JP) 2006-09-06 — — EP disclosed
US-20060128669-A1 Heterocyclic compounds having inhibitory activity against hiv integrase SHIONOGI & CO., LTD. (JP) 2006-06-15 — — US disclosed
EP-1541558-A1 HETEROCYCLIC COMPOUND HAVING HIV INTEGRASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2005-06-15 — — EP disclosed
US-20040229909-A1 Antiviral agent SHIONOGI & CO., LTD. (JP) 2004-11-18 — — US disclosed
US-20040127708-A1 Nitrogen-containing heteroaryl compounds having hiv integrase inhibitory activity SHIONOGI & CO., LTD. (JP) 2004-07-01 — — US disclosed
EP-1422218-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2004-05-26 — — EP disclosed
EP-1375486-A1 NITROGEN-CONTAINING HETEROARYL COMPOUNDS HAVING HIV INTEGRASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2004-01-02 — — EP 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 (7 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-20040229909-A1 Antiviral agent ZC3HAV1, ZC3HAV1L, DUT KDM4E 336/4885ALDH1A1 658/4885HPGD 2278/4885
US-20060293334-A1 Nitrogen-containing heteroaryl compounds having inhibitory activity against HIV integrase ZC3HAV1, INTS9, PRDM9 KDM4E 220/4885ALDH1A1 1943/4885HPGD 3070/4885
US-20060247212-A1 Heterocyclic compounds having inhibitory activity against HIV integrase CYP3A7, CDK7, CYP2A7 KDM4E 1706/4885ALDH1A1 370/4885HPGD 3078/4885
US-20060128669-A1 Heterocyclic compounds having inhibitory activity against hiv integrase CYP3A7, CDK7, CYP2A7 KDM4E 1722/4885ALDH1A1 381/4885HPGD 3035/4885
US-20040127708-A1 Nitrogen-containing heteroaryl compounds having hiv integrase inhibitory activity DUT, PNP, INMT KDM4E 464/4885ALDH1A1 1123/4885HPGD 1886/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI KDM4E 382/4885ALDH1A1 424/4885HPGD 2594/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI KDM4E 382/4885ALDH1A1 424/4885HPGD 2594/4885

“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.