Sugi Predict

Sugi Predict / Compounds / SCHEMBL291536

SCHEMBL291536

SCHEMBL291536

[CH2]Cc1cccc2nc3ccccc3nc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.50
▸ ALDH1A1 P00352 4/20 0.50
▸ GAA P10253 3/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ NQO2 P16083 9/20 0.46
▸ ACHE P22303 2/20 0.40
▸ NPC1 O15118 2/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ THRB P10828 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ BLM P54132 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ MYC P01106 1/20 0.36
▸ MAX P61244 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ POLB P06746 1/20 0.35

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
SCHEMBL9934669 0.79 MAPT (0.50) MAPTALDH1A1GAARAB9AKMT2A
SCHEMBL3414003 0.79 NQO2 (0.50) MAPTALDH1A1GAARAB9AKMT2A
SCHEMBL9934672 0.79 ALDH1A1 (0.55) MAPTALDH1A1GAARAB9AKMT2A
SCHEMBL6473213 0.79 MAPT (0.50) MAPTALDH1A1GAARAB9AKMT2A
SCHEMBL2357277 0.79 MAPT (0.46) MAPTALDH1A1GAARAB9AKMT2A
Hydrochloric Acid SCHEMBL6769346 0.78 NQO2 (0.48) MAPTALDH1A1GAARAB9AKMT2A
SCHEMBL7073826 0.76 ALDH1A1 (0.47) MAPTALDH1A1GAARAB9AKMT2A
SCHEMBL28672379 0.76 ALDH1A1 (0.48) MAPTALDH1A1GAARAB9AKMT2A
SCHEMBL2289410 0.75 MAPT (0.47) MAPTALDH1A1GAARAB9AKMT2A
SCHEMBL28658124 0.75 NQO2 (0.46) MAPTALDH1A1GAARAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116368129-A 1- (pyridinyl) -5-azinylpyrazole derivatives and their use for controlling harmful plant growth 拜耳公司 2023-06-30 — — CN disclosed
EP-3929228-A1 BATTERY MATERIAL AND ELECTRODE MATERIAL Nissan Chemical Corporation (JP) 2021-12-29 — — EP disclosed
CN-107105657-B Molecules having pesticidal utility, and intermediates, compositions, and methods related thereto 美国陶氏益农公司 2020-03-03 — — CN disclosed
CN-110839634-A Selective weed control method 美国陶氏益农公司 2020-02-28 — — CN disclosed
EP-2033952-B1 Nitrogen-containing Heteroaryl compounds having HIV Integrase Inhibitory Activity SHIONOGI & CO (JP) 2012-08-29 — — EP disclosed
EP-2321319-B1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES INC (US) 2012-03-14 — — EP disclosed
US-7998950-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2011-08-16 — — US disclosed
EP-2321319-A1 ANTIVIRAL COMPOUNDS Gilead Sciences, Inc. (US) 2011-05-18 — — EP disclosed
US-7759372-B2 Nitrogen-containing heteroaryl compounds having inhibitory activity against HIV integrase SHIONOGI & CO., LTD. (JP) 2010-07-20 — — US disclosed
US-20100022508-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-01-28 — — US disclosed
EP-2033952-A1 Nitrogen-containing Heteroaryl compounds having HIV Integrase Inhibitory Activity Shionogi&Co., Ltd. (JP) 2009-03-11 — — EP disclosed
EP-1375486-B1 NITROGEN-CONTAINING HETEROARYL COMPOUNDS HAVING HIV INTEGRASE INHIBITORY ACTIVITY SHIONOGI & CO (JP) 2008-10-15 — — EP disclosed
US-7358249-B2 Heterocyclic compounds having inhibitory activity against HIV integrase SHIONOGI & CO., LTD. (JP) 2008-04-15 — — 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
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-20040127708-A1 Nitrogen-containing heteroaryl compounds having hiv integrase inhibitory activity SHIONOGI & CO., LTD. (JP) 2004-07-01 — — US 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 (5 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-20060293334-A1 Nitrogen-containing heteroaryl compounds having inhibitory activity against HIV integrase ZC3HAV1, INTS9, PRDM9 MAPT 3735/4885ALDH1A1 1943/4885GAA 2376/4885
US-20060247212-A1 Heterocyclic compounds having inhibitory activity against HIV integrase CYP3A7, CDK7, CYP2A7 MAPT 4304/4885ALDH1A1 370/4885GAA 1519/4885
US-20060128669-A1 Heterocyclic compounds having inhibitory activity against hiv integrase CYP3A7, CDK7, CYP2A7 MAPT 4308/4885ALDH1A1 381/4885GAA 1549/4885
US-20040127708-A1 Nitrogen-containing heteroaryl compounds having hiv integrase inhibitory activity DUT, PNP, INMT MAPT 3771/4885ALDH1A1 1123/4885GAA 2274/4885
US-20100022508-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 MAPT 2923/4885ALDH1A1 3957/4885GAA 151/4885

“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.