SCHEMBL254763

SCHEMBL254763

CC(C)(C)c1nnc(C(C)(C)C)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA4 P22748 1/20 0.46
CA5A P35218 1/20 0.46
CA5B Q9Y2D0 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.42
ALDH1A1 P00352 7/20 0.37
RAB9A P51151 5/20 0.37
NPC1 O15118 4/20 0.37
PKM P14618 2/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 4/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KDM4E B2RXH2 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
SCHEMBL21233496 0.86 CA1 (0.39) CA1CA2CA4CA5ACA5B
SCHEMBL21233497 0.86 CA1 (0.39) CA1CA2CA4CA5ACA5B
SCHEMBL12340927 0.86 ALDH1A1 (0.52) CA1CA2CA4CA5ACA5B
SCHEMBL12251574 0.86 CA1 (0.39) CA1CA2CA4CA5ACA5B
SCHEMBL2351643 0.82 CA1 (0.41) CA1CA2CA4CA5ACA5B
SCHEMBL429481 0.82 CA1 (0.41) CA1CA2CA4CA5ACA5B
SCHEMBL17538764 0.82 SMN1; SMN2 (0.43) CA1CA2CA4CA5ACA5B
SCHEMBL21720216 0.80 CA1 (0.39) CA1CA2CA4CA5ACA5B
SCHEMBL21720109 0.80 CA1 (0.39) CA1CA2CA4CA5ACA5B
SCHEMBL14581965 0.80 SMN1; SMN2 (0.41) CA1CA2CA4CA5ACA5B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12043613-B2 Inhibitors of SARM1 DISARM THERAPEUTICS, INC. (US) 2024-07-23 US disclosed
US-12043613-B2 Inhibitors of SARM1 DISARM THERAPEUTICS, INC. (US) 2024-07-23 US disclosed
US-12024528-B2 Bridged tricyclic carbamoylpyridone compounds and uses thereof GILEAD SCIENCES, INC. (US) 2024-07-02 US disclosed
US-20230339971-A1 BRIDGED TRICYCLIC CARBAMOYLPYRIDONE COMPOUNDS AND USES THEREOF GILEAD SCIENCES, INC. 2023-10-26 US disclosed
US-20230339944-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE Oppilan Pharma Limited (GB) 2023-10-26 US disclosed
US-20230339972-A1 BRIDGED TRICYCLIC CARBAMOYLPYRIDONE COMPOUNDS AND USES THEREOF GILEAD SCIENCES, INC. 2023-10-26 US disclosed
US-20230339944-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE Oppilan Pharma Limited (GB) 2023-10-26 US disclosed
US-20230339972-A1 BRIDGED TRICYCLIC CARBAMOYLPYRIDONE COMPOUNDS AND USES THEREOF GILEAD SCIENCES, INC. 2023-10-26 US disclosed
US-20230339971-A1 BRIDGED TRICYCLIC CARBAMOYLPYRIDONE COMPOUNDS AND USES THEREOF GILEAD SCIENCES, INC. 2023-10-26 US disclosed
US-RE49700-E1 Substituted nitrogen containing compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2023-10-17 US disclosed
US-20090253758-A1 Selective androgen receptor modulators ELLIPSES PHARMA LTD (GB) 2009-10-08 US disclosed
US-20090253758-A1 Selective androgen receptor modulators ELLIPSES PHARMA LTD (GB) 2009-10-08 US disclosed
US-20090197860-A1 BIARYL SUBSTITUTED DIAZABICYCLOALKANE DERIVATIVES ABBOTT LABORATORIES (US) 2009-08-06 US disclosed
US-20090192186-A1 BIARYL SUBSTITUTED AZABICYCLIC ALKANE DERIVATIVES ABBOTT LABORATORIES (US) 2009-07-30 US disclosed
US-20080280905-A1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL MYERS SQUIBB COMPANY (US) 2008-11-13 US disclosed
US-20080280925-A1 Amines as Small Molecule Inhibitors METHYLGENE INC. 2008-11-13 US disclosed
US-20080275048-A1 Substituted Diazabicycloalkane Derivates ABBOTT LABORATORIES (US) 2008-11-06 US disclosed
US-7399765-B2 Substituted diazabicycloalkane derivatives ABBOTT LABORATORIES (US) 2008-07-15 US disclosed
US-7388021-B2 Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL MYERS SQUIBB COMPANY (US) 2008-06-17 US disclosed
US-20070027166-A1 Pyrazolo pyrimidines useful as aurora kinase inhibitors SUNESIS PHARMACEUTICALS, INC. 2007-02-01 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 (12 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-20090197860-A1 BIARYL SUBSTITUTED DIAZABICYCLOALKANE DERIVATIVES BRCA1, VHL, AADAC CA1 3558/4885CA2 2056/4885CA4 1377/4885
US-20090192186-A1 BIARYL SUBSTITUTED AZABICYCLIC ALKANE DERIVATIVES MALT1, AADAC, ALK CA1 3839/4885CA2 2642/4885CA4 1477/4885
US-20080280925-A1 Amines as Small Molecule Inhibitors CARM1, PRMT1, PRMT3 CA1 816/4885CA2 1085/4885CA4 2988/4885
US-20080280905-A1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS P2RY1, P2RY11, P2RY2 CA1 4750/4885CA2 4142/4885CA4 4796/4885
US-20230339971-A1 BRIDGED TRICYCLIC CARBAMOYLPYRIDONE COMPOUNDS AND USES THEREOF SDHA, SDHB, DHFR CA1 2971/4885CA2 2191/4885CA4 1599/4885
US-12043613-B2 Inhibitors of SARM1 SARM1, SMN1; SMN2, SARNP CA1 4453/4885CA2 4714/4885CA4 4857/4885
US-20080275048-A1 Substituted Diazabicycloalkane Derivates CHRNA7, CHRNA1, CHRNA2 CA1 2463/4885CA2 2880/4885CA4 3332/4885
US-20070027166-A1 Pyrazolo pyrimidines useful as aurora kinase inhibitors AURKA, AURKB, AURKC CA1 3878/4885CA2 2105/4885CA4 3830/4885
US-12024528-B2 Bridged tricyclic carbamoylpyridone compounds and uses thereof SDHA, SDHB, DPYD CA1 2740/4885CA2 2432/4885CA4 1600/4885
US-20090253758-A1 Selective androgen receptor modulators AR, SHBG, GPR119 CA1 3733/4885CA2 1838/4885CA4 3562/4885
US-20230339972-A1 BRIDGED TRICYCLIC CARBAMOYLPYRIDONE COMPOUNDS AND USES THEREOF SDHA, SDHB, DPYD CA1 2740/4885CA2 2432/4885CA4 1600/4885
US-20230339944-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE VHL, FH, TPMT CA1 2297/4885CA2 3590/4885CA4 1271/4885

“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.