SCHEMBL806451

SCHEMBL806451

Cc1ccc(F)c2[nH]ncc12

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
METAP2 P50579 4/20 0.36
HTT P42858 2/20 0.35
PTK2 Q05397 1/20 0.35
BRAF P15056 1/20 0.35
EIF2AK3 Q9NZJ5 1/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP3A4 P08684 2/20 0.33
CYP2C8 P10632 2/20 0.33
TGFBR1 P36897 2/20 0.33
MAPK10 P53779 1/20 0.33
RIPK1 Q13546 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
TRPA1 O75762 1/20 0.32
PTK6 Q13882 1/20 0.32
NLRP3 Q96P20 1/20 0.32
IDO1 P14902 2/20 0.32

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
SCHEMBL25469229 0.84 MAPT (0.43) MAPTMETAP2HTTPTK2BRAF
SCHEMBL31358108 0.83 METAP2 (0.40) MAPTMETAP2PTK2BRAFEIF2AK3
SCHEMBL6127809 0.83 MAPT (0.48) MAPTMETAP2HTTPTK2BRAF
SCHEMBL4731645 0.83 METAP2 (0.40) MAPTMETAP2PTK2BRAFEIF2AK3
SCHEMBL31190700 0.76 NOS1 (0.46) METAP2BRAFEIF2AK3TGFBR1MAPK10
SCHEMBL3497181 0.76 NOS1 (0.46) METAP2PTK2BRAFEIF2AK3MAPK10
SCHEMBL18953590 0.76 METAP2 (0.36) MAPTMETAP2PTK2BRAFEIF2AK3
SCHEMBL29793750 0.76 NOS1 (0.46) METAP2PTK2BRAFEIF2AK3MAPK10
SCHEMBL15717018 0.76 MAPT (0.52) MAPTMETAP2HTTPTK2ALDH1A1
SCHEMBL31198773 0.76 NOS1 (0.46) MAPTMETAP2HTTPTK2BRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230203018-A1 COVALENT INHIBITORS OF KRAS ARAXES PHARMA LLC (US) 2023-06-29 US disclosed
US-20230203018-A1 COVALENT INHIBITORS OF KRAS ARAXES PHARMA LLC (US) 2023-06-29 US disclosed
WO-2022109179-A1 BETA ADRENERGIC AGONIST AND METHODS OF USING THE SAME CURASEN THERAPEUTICS, INC. (US) 2022-05-27 WO disclosed
US-11273168-B2 Methods of treating anxiety by administering a substituted quinolone OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2022-03-15 US disclosed
EP-2616460-B1 HETEROCYCLIC COMPOUNDS FOR TREATING OR PREVENTING DISORDERS CAUSED BY REDUCED NEUROTRANSMISSION OF SEROTONIN, NOREPHNEPHRINE OR DOPAMINE. OTSUKA PHARMA CO LTD (JP) 2015-10-28 EP disclosed
US-9090572-B2 Substituted quinoxalines compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-07-28 US disclosed
US-9090572-B2 Substituted quinoxalines compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-07-28 US disclosed
US-20130261081-A1 HETEROCYCLIC COMPOUNDS FOR TREATING OR PREVENTING DISORDERS CAUSED BY REDUCED NEUROTRANSMISSION OF SEROTONIN, NOREPHNEPHRINE OR DOPAMINE OTSUKA PHARMACEUTICAL CO., LTD (JP) 2013-10-03 US disclosed
WO-2013137479-A1 DECAHYDROQUINOXALINE DERIVATIVES AND ANALOGS THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-09-19 WO disclosed
WO-2012036253-A1 HETEROCYCLIC COMPOUNDS FOR TREATING OR PREVENTING DISORDERS CAUSED BY REDUCED NEUROTRANSMISSION OF SEROTONIN, NOREPHNEPHRINE OR DOPAMINE. OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-03-22 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 (3 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-11273168-B2 Methods of treating anxiety by administering a substituted quinolone CRH, MC2R, HTR3C MAPT 3210/4885METAP2 2865/4885HTT 547/4885
US-20230203018-A1 COVALENT INHIBITORS OF KRAS KRAS, NRAS, HRAS MAPT 3575/4885METAP2 4117/4885HTT 3353/4885
US-20130261081-A1 HETEROCYCLIC COMPOUNDS FOR TREATING OR PREVENTING DISORDERS CAUSED BY REDUCED NEUROTRANSMISSION OF SEROTONIN, NOREPHNEPHRINE OR DOPAMINE MC2R, SLC6A2, CRH MAPT 3586/4885METAP2 2045/4885HTT 241/4885

“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.