SCHEMBL12985708

SCHEMBL12985708

CC(C)c1cn(CC(N)=O)nn1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.42
NTRK1 P04629 10/20 0.38
MEN1 O00255 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
KIT P10721 1/20 0.34
PDGFRA P16234 1/20 0.34
SRC P12931 1/20 0.34
GPR88 Q9GZN0 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL26328680 0.84 NTRK1 (0.38) NTRK1MEN1TSHRMAPK1KMT2A
SCHEMBL16171674 0.83 NTRK1 (0.38) NTRK1MEN1TSHRMAPK1KMT2A
SCHEMBL20952658 0.80 KIT (0.39) NTRK1MEN1TSHRMAPK1KMT2A
SCHEMBL20438069 0.80 NTRK1 (0.36) NTRK1MEN1TSHRMAPK1KMT2A
SCHEMBL22400121 0.79 MEN1 (0.45) NTRK1MEN1TSHRMAPK1KMT2A
SCHEMBL22381401 0.79 ALDH1A1 (0.43) NTRK1MEN1TSHRMAPK1KMT2A
SCHEMBL4751928 0.78 MAPK1 (0.45) MEN1TSHRMAPK1KMT2ASRC
SCHEMBL12984349 0.77 SMYD3 (0.44) SMYD3NTRK1MAPK1SRCOPRM1
SCHEMBL23937854 0.76 NTRK1 (0.41) NTRK1MEN1TSHRMAPK1KMT2A
SCHEMBL22400120 0.76 NTRK1 (0.37) NTRK1MEN1TSHRMAPK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110573505-B C 5 -anilinoquinazoline compounds and their use in the treatment of cancer 阿斯利康(瑞典)有限公司 2023-04-11 CN claimed
US-20230174520-A1 3-((Hetero-)Aryl)-Alkyl-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives GRUENENTHAL GMBH (DE) 2023-06-08 US disclosed
CN-110573505-B C 5 -anilinoquinazoline compounds and their use in the treatment of cancer 阿斯利康(瑞典)有限公司 2023-04-11 CN disclosed
US-20200399252-A1 3-((HETERO-)ARYL)-ALKYL-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES Grünenthal GmbH (DE) 2020-12-24 US disclosed
US-10829480-B2 3-((hetero-)aryl)-alkyl-8-amino-2-oxo-l,3-diaza-spiro-[4.5]-decane derivatives GRUENENTHAL GMBH (DE) 2020-11-10 US disclosed
US-20170197947-A1 3-((Hetero-)Aryl)-Alkyl-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives GRUENENTHAL GMBH (DE) 2017-07-13 US disclosed
US-20170197947-A1 3-((Hetero-)Aryl)-Alkyl-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives GRUENENTHAL GMBH (DE) 2017-07-13 US disclosed
US-20140364415-A1 PYRROLO[2,3-d]PYRIMIDINE TROPOMYSIN-RELATED KINASE INHIBITORS PFIZER LIMITED (GB) 2014-12-11 US disclosed
US-8846698-B2 Pyrrolo[2,3-d]pyrimidine tropomysin-related kinase inhibitors PFIZER LIMITED (US) 2014-09-30 US disclosed
EP-2694509-A1 PYRROLO [2, 3 -D]PYRIMIDINE DERIVATIVES AS INHIBITORS OF TROPOMYOSIN- RELATED KINASES Pfizer Limited (GB) 2014-02-12 EP disclosed
WO-2012137089-A1 PYRROLO [2, 3 -D] PYRIMIDINE DERIVATIVES AS INHIBITORS OF TROPOMYOSIN- RELATED KINASES PFIZER LIMITED (GB) 2012-10-11 WO disclosed
US-20120258950-A1 PYRROLO[2,3-d]PYRIMIDINE TROPOMYSIN-RELATED KINASE INHIBITORS PFIZER LIMITED (GB) 2012-10-11 US 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 (6 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-20230174520-A1 3-((Hetero-)Aryl)-Alkyl-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, ARRB1 SMYD3 4803/4885NTRK1 586/4885MEN1 3999/4885
US-20170197947-A1 3-((Hetero-)Aryl)-Alkyl-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, ARRB1 SMYD3 4803/4885NTRK1 586/4885MEN1 3999/4885
US-20140364415-A1 PYRROLO[2,3-d]PYRIMIDINE TROPOMYSIN-RELATED KINASE INHIBITORS DMPK, DTYMK, MUSK SMYD3 3352/4885NTRK1 13/4885MEN1 2925/4885
US-20200399252-A1 3-((HETERO-)ARYL)-ALKYL-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES OPRK1, OPRD1, ARRB1 SMYD3 4803/4885NTRK1 586/4885MEN1 3999/4885
US-20120258950-A1 PYRROLO[2,3-d]PYRIMIDINE TROPOMYSIN-RELATED KINASE INHIBITORS DMPK, DTYMK, MUSK SMYD3 3352/4885NTRK1 13/4885MEN1 2925/4885
US-10829480-B2 3-((hetero-)aryl)-alkyl-8-amino-2-oxo-l,3-diaza-spiro-[4.5]-decane derivatives OPRD1, OPRK1, OPRL1 SMYD3 4791/4885NTRK1 562/4885MEN1 4218/4885

“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.