SCHEMBL20157368

SCHEMBL20157368

Cc1c(C#N)cccc1CCN

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 10/20 0.47
ADRA2C P18825 1/20 0.44
TSHR P16473 1/20 0.41
MAPT P10636 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
MAPK1 P28482 1/20 0.37
HTR2A P28223 2/20 0.37
NISCH Q9Y2I1 1/20 0.36
LRRK2 Q5S007 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
Water SCHEMBL8703021 0.85 TSHR (0.43) TSHRMAPTNISCHLRRK2SMN1; SMN2
SCHEMBL8700310 0.85 TSHR (0.43) TSHRMAPTNISCHLRRK2SMN1; SMN2
SCHEMBL1064586 0.80 ADRA2C (0.53) TAAR1ADRA2CTSHRMAPTHTR2A
SCHEMBL8855696 0.80 TSHR (0.46) TSHRMAPTNISCHLRRK2SMN1; SMN2
SCHEMBL16053760 0.80 TAAR1 (0.62) TAAR1MAPTNPSR1MAPK1HTR2A
Hydrochloric Acid SCHEMBL30823533 0.79 ADRA2C (0.51) TAAR1ADRA2CTSHRMAPTHTR2A
SCHEMBL11967122 0.79 TSHR (0.45) TSHRNISCHLRRK2
SCHEMBL17672602 0.78 TAAR1 (0.47) TAAR1ADRA2CTSHRHTR2A
SCHEMBL15898401 0.77 TSHR (0.43) TSHRMAPTNISCHLRRK2SMN1; SMN2
SCHEMBL3933757 0.77 TSHR (0.43) TSHRMAPTNISCHLRRK2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4472974-A2 HETEROCYCLIC COMPOUNDS AND METHODS OF USE Schrödinger, Inc. (US) 2024-12-11 EP disclosed
WO-2023150291-A2 HETEROCYCLIC COMPOUNDS AND METHODS OF USE SCHRÖDINGER, INC. (US) 2023-08-10 WO disclosed
EP-4076418-A1 SOS1 INHIBITORS Mirati Therapeutics, Inc. (US) 2022-10-26 EP disclosed
US-11254686-B1 Compounds and methods for modulating adenosine A2B receptor and adenosine A2A receptor CORVUS PHARMACEUTICALS, INC. (US) 2022-02-22 US disclosed
WO-2021127429-A1 SOS1 INHIBITORS Mirati Therapeutics, Inc. (US) 2021-06-24 WO disclosed
CN-111629728-A Compounds and methods for modulating adenosine A2B receptor and adenosine A2A receptor 科尔沃斯制药股份有限公司 2020-09-04 CN disclosed
EP-3675856-A1 COMPOUNDS AND METHODS FOR MODULATING ADENOSINE A2B RECEPTOR AND ADENOSINE A2A RECEPTOR Corvus Pharmaceuticals, Inc. (US) 2020-07-08 EP disclosed
WO-2019046784-A1 COMPOUNDS AND METHODS FOR MODULATING ADENOSINE A2B RECEPTOR AND ADENOSINE A2A RECEPTOR CORVUS PHARMACEUTICALS, INC. (US) 2019-03-07 WO disclosed
WO-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 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 (1 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-11254686-B1 Compounds and methods for modulating adenosine A2B receptor and adenosine A2A receptor ADORA2A, ADORA2B, ADORA3 TAAR1 132/4885ADRA2C 14/4885TSHR 89/4885

“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.