SCHEMBL410281

SCHEMBL410281

Cc1[c]nc2ccccc2n1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
NQO2 P16083 6/20 0.44
CYP1A2 P05177 5/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GPR3 P46089 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
USP2 O75604 1/20 0.34
POLB P06746 1/20 0.34
CACNA1B Q00975 1/20 0.34
APBA1 Q02410 1/20 0.34
KMT2A Q03164 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
SCHEMBL2413809 0.76 NQO2 (0.52) MAPTNQO2CYP1A2KDM4EALDH1A1
SCHEMBL2413517 0.76 NQO2 (0.52) MAPTNQO2CYP1A2KDM4EALDH1A1
SCHEMBL2409977 0.74 RAB9A (0.40) MAPTNQO2CYP1A2ALDH1A1HPGD
SCHEMBL637349 0.74 RAB9A (0.40) MAPTNQO2KDM4EALDH1A1TDP1
SCHEMBL2408830 0.74 ATM (0.34) MAPTKDM4EALDH1A1NPC1USP2
SCHEMBL2406818 0.74 ATM (0.34) MAPTNPC1USP2
SCHEMBL9480318 0.73 MAPT (0.48) MAPTNQO2KDM4EALDH1A1TDP1
SCHEMBL9479792 0.71 MAPT (0.46) MAPTNQO2CYP1A2KDM4EALDH1A1
SCHEMBL558407 0.71 TDP1 (0.50) MAPTNQO2KDM4EALDH1A1TDP1
SCHEMBL2409333 0.71 NQO2 (0.44) MAPTNQO2KDM4EALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240018151-A1 NOVEL INHIBITORS OF PIKFYVE AND METHODS USING SAME TME THERAPEUTICS LLC 2024-01-18 US claimed
EP-4229063-A1 NOVEL INHIBITORS OF PIKFYVE AND METHODS USING SAME TME Therapeutics LLC (US) 2023-08-23 EP claimed
US-11667644-B2 Disubstituted octahydropyrrolo[3,4-c]pyrroles as orexin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2023-06-06 US claimed
WO-2022086993-A1 NOVEL INHIBITORS OF PIKFYVE AND METHODS USING SAME TME THERAPEUTICS LLC (US) 2022-04-28 WO claimed
US-RE48841-E1 Disubstituted octahydropyrrolo[3,4-c]pyrroles as orexin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2021-12-07 US claimed
US-20210347781-A1 Disubstituted Octahydropyrrolo[3,4-c]Pyrroles As Orexin Receptor Modulators JANSSEN PHARMACEUTICA NV (BE) 2021-11-11 US claimed
EP-3424926-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINS, THEIR PRODUCTION AND UTILISATION AS MEDICINE Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2019-01-09 EP claimed
EP-2491038-B1 DISUBSTITUTED OCTAHY - DROPYRROLO [3,4-C]PYRROLES AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2016-04-06 EP claimed
EP-2271650-B1 Quinuclidine compounds as alpha-7 nicotinic acetylcholine receptor ligands BRISTOL MYERS SQUIBB CO (US) 2015-09-16 EP claimed
US-9079911-B2 Disubstituted octahydropyrrolo[3,4-c]pyrroles as orexin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2015-07-14 US claimed
US-20040097510-A1 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-05-20 US claimed
WO-2004018468-A2 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PRODUCTION THEREOF AND THE USE OF THE SAME AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-03-04 WO claimed
WO-2004007509-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-01-22 WO claimed
EP-0085227-B1 THIADIAZINE DERIVATIVES, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-04-03 EP claimed
US-4788194-A CARDIOTONIC AGENTS, HYPOTENSIVE AGENTS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-11-29 US claimed
US-4716164-A CARDIOTONIC, HYPOTENSIVE IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-12-29 US claimed
US-4558045-A CARDIOTONIC AND HYPOTENSIVE ACTIVITY IMPERIAL CHEMICAL INDUSTRIES, PLC (GB) 1985-12-10 US claimed
US-4489073-A HYPOTENSIVE AND CARDIOTONIC AGENTS IMPERIAL CHEMICAL INDUSTRIES, PLC (GB) 1984-12-18 US claimed
EP-0085227-A1 Thiadiazine derivatives, and pharmaceutical compositions containing them IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-08-10 EP claimed
US-4118561-A ANTIBACTERIAL, SYNERGISTIC, ANTI-CANCER ACTIVITY, ANTI-FOLIC ACID ACTIVITY AMERICAN HOME PRODUCTS CORPORATION (US) 1978-10-03 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20240018151-A1 NOVEL INHIBITORS OF PIKFYVE AND METHODS USING SAME PIKFYVE, PIK3CD, PIK3R5 MAPT 682/4885NQO2 4467/4885CYP1A2 4703/4885
US-20210347781-A1 Disubstituted Octahydropyrrolo[3,4-c]Pyrroles As Orexin Receptor Modulators HCRTR2, HCRTR1, OXTR MAPT 785/4885NQO2 3709/4885CYP1A2 2758/4885
US-11667644-B2 Disubstituted octahydropyrrolo[3,4-c]pyrroles as orexin receptor modulators HCRTR2, HCRTR1, OXTR MAPT 785/4885NQO2 3709/4885CYP1A2 2758/4885
US-20040097510-A1 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and their use as pharmaceutical compositions DPP8, DPP4, DPP3 MAPT 1029/4885NQO2 619/4885CYP1A2 313/4885

“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.