SCHEMBL104222

SCHEMBL104222

[c]1cccc2c1NCCC2

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
SRC P12931 1/20 0.35
HTR2C P28335 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31

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
SCHEMBL107331 0.88
SCHEMBL3577696 0.68 MEN1 (0.32) KDM4EMAPT
SCHEMBL6168485 0.68 PNMT (0.35)
SCHEMBL105406 0.68 KDM4E (0.32) KDM4EMAPTCA12CA1CA2
SCHEMBL2885325 0.67 TSHR (0.50) TSHR
SCHEMBL688577 0.67 NPC1 (0.50) KDM4EMAPT
SCHEMBL1451213 0.67 NPC1 (0.50) MAPTCA9
SCHEMBL9210549 0.67 KDM4E (0.34) KDM4EMAPT
SCHEMBL871100 0.67 ITGB2 (0.38) MAPT
SCHEMBL586947 0.67 SIGMAR1 (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240059703-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE AMGEN INC. 2024-02-22 US claimed
CN-110669058-A Tricyclic quinolone carboxylic acid and preparation method thereof 江西农业大学 2020-01-10 CN claimed
US-10207985-B2 Compounds SYNGENTA PARTICIPATIONS AG (CH) 2019-02-19 US claimed
EP-2702052-B1 17ALPHA-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2017-10-18 EP claimed
EP-2421852-B9 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITOR JANSSEN PHARMACEUTICA NV (BE) 2015-07-01 EP claimed
EP-2421823-B1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2015-01-14 EP claimed
EP-2421852-B1 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITOR JANSSEN PHARMACEUTICA NV (BE) 2014-05-21 EP claimed
EP-1648426-B1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS ASTEX THERAPEUTICS LTD (GB) 2014-01-08 EP claimed
EP-1339663-B1 NAPHTHALENE DERIVATIVES NOVARTIS AG (CH) 2012-01-04 EP claimed
WO-2009006089-A2 A2 ADENOSINE RECEPTOR AGONISTS GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2009-01-08 WO claimed
EP-0314852-B1 Process for the preparation of 1-substituted imidazole-carbonic acid and derivatives CIBA GEIGY AG (CH) 1993-11-18 EP claimed
US-5262537-A Treatment of nausea and vomiting ANAQUEST, INC. (US) 1993-11-16 US claimed
EP-0207563-B1 A METHOD FOR CONTROLLING WEEDS JANSSEN PHARMACEUTICA N.V. (BE) 1991-07-31 EP claimed
EP-0216483-B1 THERMAL TRANSFER PRINTING ZENECA LIMITED (GB) 1990-04-11 EP claimed
EP-0289066-A1 1,5-Substituted 1H-imidazoles JANSSEN PHARMACEUTICA N.V. (BE) 1988-11-02 EP claimed
EP-0277384-A2 1H-imidazole-5-carboxylic acid derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1988-08-10 EP claimed
EP-0207563-A2 A method for controlling weeds JANSSEN PHARMACEUTICA N.V. (BE) 1987-01-07 EP claimed
US-4258192-A SUSPRESSION OF THROMBOSIS MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JP) 1981-03-24 US claimed
US-4201863-A ANTICOAGULANTS MITSUBISHI CHEMICAL INDUSTRIES, LIMITED (JP) 1980-05-06 US claimed
EP-0008746-A1 Alpha-(N-arylsulfonyl-L-argininamides, processes for their preparation and pharmaceutical compositions containing these substances MITSUBISHI KASEI CORPORATION (JP) 1980-03-19 EP 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 (2 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-20240059703-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE KRAS, HRAS, APC TSHR 4163/4885SRC 1527/4885HTR2C 3523/4885
US-10207985-B2 Compounds CYP1B1, DDT, CYP1A1 TSHR 3997/4885SRC 1547/4885HTR2C 1645/4885

“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.