SCHEMBL1198522

SCHEMBL1198522

C1=C(c2ccc(-c3ncccn3)cn2)CCNC1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.47
HTR2C P28335 7/20 0.46
QDPR P09417 2/20 0.45
WNT3A P56704 1/20 0.43
PRMT5 O14744 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
WNT1 P04628 1/20 0.38
GRM5 P41594 1/20 0.38
MET P08581 1/20 0.37

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
Hydrochloric Acid SCHEMBL18113487 0.99 HTR2C (0.49) SIGMAR1HTR2CQDPRWNT3APRMT5
SCHEMBL12193536 0.84 SIGMAR1 (0.61) SIGMAR1HTR2CQDPRHRH3GRM5
SCHEMBL171238 0.84 SIGMAR1 (0.62) SIGMAR1HTR2CQDPRWNT3APRMT5
Hydrochloric Acid SCHEMBL18113481 0.83 HTR2C (0.62) SIGMAR1HTR2CQDPRGRM5
SCHEMBL13490517 0.79 SIGMAR1 (0.66) SIGMAR1HTR2CQDPRWNT3AHRH3
SCHEMBL171420 0.79 HTR2C (0.66) SIGMAR1HTR2CQDPRWNT3APRMT5
SCHEMBL12374234 0.79 HTR2C (0.39) SIGMAR1HTR2CQDPRWNT3AHRH3
SCHEMBL30454304 0.78 SIGMAR1 (0.56) SIGMAR1HTR2CQDPRGRM5
SCHEMBL169400 0.78 SIGMAR1 (0.56) SIGMAR1HTR2CQDPRGRM5
Hydrochloric Acid SCHEMBL2275244 0.78 HTR2C (0.40) SIGMAR1HTR2CQDPRWNT3A

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
EP-3277690-B1 SPIROCYCLIC COMPOUNDS RECURIUM IP HOLDINGS LLC (US) 2020-02-26 EP disclosed
US-20190201380-A1 SPIROCYCLIC COMPOUNDS KALYRA PHARMACEUTICALS, INC. 2019-07-04 US disclosed
US-20180207132-A1 SPIROCYCLIC COMPOUNDS RECURIUM IP HOLDINGS, LLC 2018-07-26 US disclosed
US-20180207132-A1 SPIROCYCLIC COMPOUNDS RECURIUM IP HOLDINGS, LLC 2018-07-26 US disclosed
WO-2016161160-A1 SPIROCYCLIC COMPOUNDS KALYRA PHARMACEUTICALS, INC. (US) 2016-10-06 WO disclosed
US-8546404-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME (US) 2013-10-01 US disclosed
US-8546404-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME (US) 2013-10-01 US disclosed
US-8546404-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME (US) 2013-10-01 US disclosed
EP-1966151-B1 POLYCYCLIC INDAZOLE DERIVATIVES THAT ARE ERK INHIBITORS SCHERING CORP (US) 2011-10-05 EP disclosed
EP-1966151-B1 POLYCYCLIC INDAZOLE DERIVATIVES THAT ARE ERK INHIBITORS SCHERING CORP (US) 2011-10-05 EP disclosed
US-20090118284-A1 Novel compounds that are ERK inhibitors MERCK SHARP & DOHME LLC 2009-05-07 US disclosed
US-20090118284-A1 Novel compounds that are ERK inhibitors MERCK SHARP & DOHME LLC 2009-05-07 US disclosed
US-20090118284-A1 Novel compounds that are ERK inhibitors MERCK SHARP & DOHME LLC 2009-05-07 US disclosed
WO-2008156739-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF AS ERK INHIBITORS SCHERING CORPORATION (US) 2008-12-24 WO disclosed
EP-1966151-A1 POLYCYCLIC INDAZOLE DERIVATIVES THAT ARE ERK INHIBITORS SCHERING CORPORATION (US) 2008-09-10 EP disclosed
US-20070191604-A1 Novel compounds that are ERK inhibitors SCHERING CORPORATION 2007-08-16 US disclosed
US-20070191604-A1 Novel compounds that are ERK inhibitors SCHERING CORPORATION 2007-08-16 US disclosed
US-20070191604-A1 Novel compounds that are ERK inhibitors SCHERING CORPORATION 2007-08-16 US disclosed
WO-2007070398-A1 POLYCYCLIC INDAZOLE DERIVATIVES THAT ARE ERK INHIBITORS SCHERING CORPORATION (US) 2007-06-21 WO disclosed
WO-2007070398-A1 POLYCYCLIC INDAZOLE DERIVATIVES THAT ARE ERK INHIBITORS SCHERING CORPORATION (US) 2007-06-21 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 (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-20090118284-A1 Novel compounds that are ERK inhibitors MAPK1, MAPK4, MAPK10 SIGMAR1 1543/4885HTR2C 4139/4885QDPR 546/4885
US-20070191604-A1 Novel compounds that are ERK inhibitors MAPK1, MAPK4, MAPKAPK2 SIGMAR1 1454/4885HTR2C 3899/4885QDPR 441/4885
US-20190201380-A1 SPIROCYCLIC COMPOUNDS PKD1, AR, PKD2 SIGMAR1 2013/4885HTR2C 2823/4885QDPR 2060/4885
US-20180207132-A1 SPIROCYCLIC COMPOUNDS PKD1, AR, PKD2 SIGMAR1 2013/4885HTR2C 2823/4885QDPR 2060/4885

“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.