SCHEMBL19701967

SCHEMBL19701967

COC(=O)N1C[C@@H](C)N(C(C)C)[C@@H](C)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
CHRNB2 P17787 3/20 0.47
CHRNA4 P43681 3/20 0.47
CHRNB4 P30926 1/20 0.47
CHRNA3 P32297 1/20 0.47
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2D6 P10635 2/20 0.36
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
GRM5 P41594 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
KIF11 P52732 1/20 0.31
FGFR1 P11362 1/20 0.31
FGFR2 P21802 1/20 0.31
FGFR3 P22607 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL19710631 0.82 TSHR (0.54) TSHRCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL21846724 0.81 GAA (0.41) TSHRCHRNB2CHRNA4ALDH1A1SMN1; SMN2
SCHEMBL20690384 0.80 NR1H2 (0.47) ALDH1A1SMN1; SMN2L3MBTL1USP2
SCHEMBL20690383 0.80 NR1H2 (0.47) ALDH1A1SMN1; SMN2L3MBTL1USP2
SCHEMBL20680690 0.80 NR1H2 (0.47) ALDH1A1SMN1; SMN2L3MBTL1USP2
SCHEMBL26238681 0.79 CHRNB2 (0.47) TSHRCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL19698027 0.78 CHRNB2 (0.43) TSHRCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL21846684 0.77 ALDH1A1 (0.40) TSHRCYP1A2CYP2C9CYP2D6ALDH1A1
SCHEMBL21541817 0.76 SMN1; SMN2 (0.34) CHRNB2CHRNA4CHRNA3ALDH1A1SMN1; SMN2
SCHEMBL21541820 0.76 SMN1; SMN2 (0.34) CHRNB2CHRNA4CHRNA3ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220017521-A1 PYRAZOLOPYRIMIDINE COMPOUNDS AND USES THEREOF INCYTE CORPORATION 2022-01-20 US disclosed
US-11111247-B2 Pyrazolopyrimidine compounds and uses thereof INCYTE CORPORATION (US) 2021-09-07 US disclosed
US-20200095250-A1 PYRAZOLOPYRIMIDINE COMPOUNDS AND USES THEREOF INCYTE CORPORATION 2020-03-26 US disclosed
US-20170355707-A1 BICYCLIC HETEROARYL AMINE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2017-12-14 US disclosed
US-20170355707-A1 BICYCLIC HETEROARYL AMINE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2017-12-14 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 (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-20170355707-A1 BICYCLIC HETEROARYL AMINE COMPOUNDS PIK3R3, JAK2, JAK3 TSHR 289/4885CHRNB2 2984/4885CHRNA4 1832/4885
US-20200095250-A1 PYRAZOLOPYRIMIDINE COMPOUNDS AND USES THEREOF ALK, FGFR1, FGFR2 TSHR 3771/4885CHRNB2 3545/4885CHRNA4 4464/4885
US-20220017521-A1 PYRAZOLOPYRIMIDINE COMPOUNDS AND USES THEREOF ALK, FGFR1, FGFR2 TSHR 3771/4885CHRNB2 3545/4885CHRNA4 4464/4885
US-11111247-B2 Pyrazolopyrimidine compounds and uses thereof ALK, FGFR1, FGFR2 TSHR 3771/4885CHRNB2 3545/4885CHRNA4 4464/4885

“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.