SCHEMBL5047396

SCHEMBL5047396

Cc1cnc(C(N)=O)nc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 3/20 0.48
PARP1 P09874 2/20 0.42
NNMT P40261 4/20 0.41
IKBKB O14920 1/20 0.41
ADRA2A P08913 2/20 0.38
ADRA2B P18089 2/20 0.38
ADRA2C P18825 2/20 0.38
PLAU P00749 1/20 0.38
SIRT3 Q9NTG7 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
ADORA3 P0DMS8 1/20 0.37
TSHR P16473 1/20 0.37
MC4R P32245 1/20 0.37
ADRA1A P35348 1/20 0.37
MC3R P41968 1/20 0.37
SIRT6 Q8N6T7 2/20 0.36
POLB P06746 1/20 0.36
NOS3 P29474 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
SCHEMBL12970650 0.77 NNMT (0.41) NNMTADRA2AADRA2BADRA2CSIRT3
SCHEMBL9852803 0.77 APLNR (0.45) APLNRMAPTRAB9ASMN1; SMN2
SCHEMBL882970 0.77 APLNR (0.50) APLNRTDP1MAPTRAB9APOLB
SCHEMBL1855352 0.75 KDM4E (0.40) PARP1NNMTADRA2AADRA2BADRA2C
SCHEMBL3172153 0.75 SIRT6 (0.45) PARP1NNMTADRA2AADRA2BADRA2C
SCHEMBL29959449 0.75 ADORA3 (0.37) APLNRPARP1NNMTADORA3TSHR
SCHEMBL5044900 0.75 PARP10 (0.46) TDP1MAPTPOLB
SCHEMBL19117648 0.75 MAPK1 (0.38) APLNRNNMTMAPTRAB9AADORA3
SCHEMBL14820284 0.75 PARP1 (0.47) PARP1NNMTSIRT6
SCHEMBL31538477 0.75 P2RX7 (0.59) APLNRTDP1MAPTRAB9AADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11319298-B2 Heteroaryl piperidine ether allosteric modulators of the M4 muscarinic acetylcholine receptor MERCK SHARP & DOHME CORP. (US) 2022-05-03 US claimed
US-20050107381-A1 6-membered heteroaryl compounds for the treatment of neurodegenerative disorders PFIZER, INC. 2005-05-19 US claimed
WO-2024137329-A1 METHODS FOR THE SYNTHESIS OF COMPLEMENT FACTOR D INHIBITORS AND INTERMEDIATES THEREOF ALEXION PHARMACEUTICALS, INC. (US) 2024-06-27 WO disclosed
EP-3340983-B1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS ACHILLION PHARMACEUTICALS INC (US) 2023-10-04 EP disclosed
US-20230303573-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives Grünenthal GmbH (DE) 2023-09-28 US disclosed
WO-2023114198-A2 METHODS FOR THE SYNTHESIS OF COMPLEMENT FACTOR D INHIBITORS ALEXION PHARMACEUTICALS, INC. (US) 2023-06-22 WO disclosed
WO-2023114200-A2 METHODS FOR THE SYNTHESIS OF COMPLEMENT FACTOR D INHIBITORS AND INTERMEDIATES THEREOF ALEXION PHARMACEUTICALS, INC. (US) 2023-06-22 WO disclosed
US-11345702-B1 PGDH inhibitors and methods of making and using MYOFORTE THERAPEUTICS, INC. (US) 2022-05-31 US disclosed
WO-2022082009-A1 INHALED FORMULATIONS OF PGDH INHIBITORS AND METHODS OF USE THEREOF EPIRIUM BIO INC. (US) 2022-04-21 WO disclosed
WO-2021151014-A1 PGDH INHIBITORS AND METHODS OF MAKING AND USING MYOFORTE THERAPEUTICS, INC. (US) 2021-07-29 WO disclosed
US-10858360-B2 Tricyclic gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2020-12-08 US disclosed
US-20150246934-A1 TRICYCLIC GYRASE INHIBITORS MERCK SHARP & DOHME LLC 2015-09-03 US disclosed
US-20150246934-A1 TRICYCLIC GYRASE INHIBITORS MERCK SHARP & DOHME LLC 2015-09-03 US disclosed
US-20120238751-A1 TRICYCLIC GYRASE INHIBITORS TRIUS THERAPEUTICS, INC. (US) 2012-09-20 US disclosed
US-20120238751-A1 TRICYCLIC GYRASE INHIBITORS TRIUS THERAPEUTICS, INC. (US) 2012-09-20 US disclosed
WO-2012125746-A1 TRICYCLIC GYRASE INHIBITORS TRIUS THERAPEUTICS INC. (US) 2012-09-20 WO disclosed
EP-1654260-A4 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PROD INC (US) 2008-09-24 EP disclosed
EP-1654260-A2 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2006-05-10 EP disclosed
US-20050107381-A1 6-membered heteroaryl compounds for the treatment of neurodegenerative disorders PFIZER, INC. 2005-05-19 US disclosed
WO-2005011601-A2 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS, INC. (US) 2005-02-10 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 (7 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-20050107381-A1 6-membered heteroaryl compounds for the treatment of neurodegenerative disorders APP, BACE1, SNCA APLNR 360/4885PARP1 1565/4885NNMT 559/4885
US-20120238751-A1 TRICYCLIC GYRASE INHIBITORS TOP1, TOP2A, TOP2B APLNR 4860/4885PARP1 40/4885NNMT 1921/4885
US-11319298-B2 Heteroaryl piperidine ether allosteric modulators of the M4 muscarinic acetylcholine receptor CHRM4, CHRM2, CHRM5 APLNR 508/4885PARP1 3707/4885NNMT 249/4885
US-20150246934-A1 TRICYCLIC GYRASE INHIBITORS TOP1, TOP2A, TOP2B APLNR 4872/4885PARP1 33/4885NNMT 1943/4885
US-20230303573-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, OPRL1 APLNR 845/4885PARP1 782/4885NNMT 3089/4885
US-10858360-B2 Tricyclic gyrase inhibitors TOP1, TOP2A, TOP2B APLNR 4860/4885PARP1 40/4885NNMT 1921/4885
US-11345702-B1 PGDH inhibitors and methods of making and using HPGD, HPGDS, PTGS1 APLNR 3929/4885PARP1 972/4885NNMT 533/4885

“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.