SCHEMBL16639808

SCHEMBL16639808

CC(C)(C)N1Cc2cnc(N)nc2C1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PDGFRB P09619 7/20 0.38
▸ KDR P35968 10/20 0.37
▸ DRD3 P35462 2/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ DRD2 P14416 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ HRH4 Q9H3N8 1/20 0.36
▸ HSP90AB1 P08238 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34

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
SCHEMBL25138304 0.85 PDGFRB (0.46) PDGFRBKDRDRD3CYP2D6DRD2
SCHEMBL13322763 0.81 HSP90AA1 (0.40) HSP90AB1
SCHEMBL22166394 0.81 DRD3 (0.38) PDGFRBKDRDRD3CYP2D6DRD2
SCHEMBL21341300 0.79 DPP4 (0.32) —
SCHEMBL16644224 0.78 HRH4 (0.47) PDGFRBKDRDRD3CYP2D6DRD2
SCHEMBL19498175 0.78 HSP90AA1 (0.38) CYP2D6MEN1KMT2AKDM4EHRH4
SCHEMBL19498170 0.77 FGFR4 (0.38) PDGFRBKDRMEN1KMT2AKDM4E
SCHEMBL19498163 0.77 HSP90AA1 (0.37) MEN1KMT2AHRH4ALDH1A1
SCHEMBL13562736 0.77 DPP4 (0.42) —
SCHEMBL13093365 0.76 DPP4 (0.42) —

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
US-20210171545-A1 AMIDO SPIROCYCLIC AMIDE AND SULFONAMIDE DERIVATIVES VALO HEALTH, INC. 2021-06-10 — — US disclosed
US-10730889-B2 Amido spirocyclic amide and sulfonamide derivatives FORMA TM, LLC (US) 2020-08-04 — — US disclosed
US-10696692-B2 Amido-benzyl sulfone and sulfoxide derivates Valo Health, LLC 2020-06-30 — — US disclosed
US-9822129-B2 Amido spirocyclic amide and sulfonamide derivatives GENENTECH, INC. (US) 2017-11-21 — — US disclosed
US-9822129-B2 Amido spirocyclic amide and sulfonamide derivatives GENENTECH, INC. (US) 2017-11-21 — — US disclosed
US-20170216262-A1 AMIDO SPIROCYCLIC AMIDE AND SULFONAMIDE DERIVATIVES VALO EARLY DISCOVERY, INC. 2017-08-03 — — US disclosed
US-20170216262-A1 AMIDO SPIROCYCLIC AMIDE AND SULFONAMIDE DERIVATIVES VALO EARLY DISCOVERY, INC. 2017-08-03 — — US disclosed
US-20160355514-A1 PYRIDINYL AND PYRIMIDINYL SULFOXIDE AND SULFONE DERIVATIVES VALO EARLY DISCOVERY, INC. 2016-12-08 — — US disclosed
US-9458172-B2 Pyridinyl and pyrimidinyl sulfoxide and sulfone derivatives VALO HEALTH, INC. 2016-10-04 — — US disclosed
US-20160002266-A1 AMIDO SPIROCYCLIC AMIDE AND SULFONAMIDE DERIVATIVES GENENTECH, INC. (US) 2016-01-07 — — US disclosed
US-20150175621-A1 PYRIDINYL AND PYRIMIDINYL SULFOXIDE AND SULFONE DERIVATIVES Valo Health, LLC 2015-06-25 — — US disclosed
US-20150104384-A1 AMIDO-BENZYL SULFONE AND SULFOXIDE DERIVATIVES VALO HEALTH, INC. 2015-04-16 — — 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 (8 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-20160002266-A1 AMIDO SPIROCYCLIC AMIDE AND SULFONAMIDE DERIVATIVES STS, AADAC, SULT2A1 PDGFRB 2130/4885KDR 4087/4885DRD3 4161/4885
US-20170216262-A1 AMIDO SPIROCYCLIC AMIDE AND SULFONAMIDE DERIVATIVES STS, AADAC, SULT2A1 PDGFRB 2130/4885KDR 4087/4885DRD3 4161/4885
US-20210171545-A1 AMIDO SPIROCYCLIC AMIDE AND SULFONAMIDE DERIVATIVES STS, AADAC, SULT2A1 PDGFRB 2130/4885KDR 4087/4885DRD3 4161/4885
US-10696692-B2 Amido-benzyl sulfone and sulfoxide derivates STS, SQOR, SULT1E1 PDGFRB 1129/4885KDR 4774/4885DRD3 2447/4885
US-20160355514-A1 PYRIDINYL AND PYRIMIDINYL SULFOXIDE AND SULFONE DERIVATIVES TPMT, TYMS, TYMP PDGFRB 114/4885KDR 3601/4885DRD3 2697/4885
US-20150175621-A1 PYRIDINYL AND PYRIMIDINYL SULFOXIDE AND SULFONE DERIVATIVES TPMT, TYMS, TYMP PDGFRB 114/4885KDR 3601/4885DRD3 2697/4885
US-10730889-B2 Amido spirocyclic amide and sulfonamide derivatives STS, AADAC, SULT2A1 PDGFRB 2130/4885KDR 4087/4885DRD3 4161/4885
US-20150104384-A1 AMIDO-BENZYL SULFONE AND SULFOXIDE DERIVATIVES STS, SULT1E1, CBS PDGFRB 1093/4885KDR 4761/4885DRD3 2944/4885

“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.

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