SCHEMBL20204376

SCHEMBL20204376

CN1CC[C@@H](NC(=O)Oc2ccc(C#N)cc2)C[C@@H]1c1nc2ccccc2[nH]1

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.44
KCNH2 Q12809 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
HTR2B P41595 1/20 0.39
TNKS O95271 2/20 0.39
PARP2 Q9UGN5 2/20 0.39
PARP1 P09874 1/20 0.39
TNKS2 Q9H2K2 1/20 0.38

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
SCHEMBL9970063 0.88 NPC1 (0.52) USP30KCNH2NPC1RAB9A
SCHEMBL9970010 0.86 HTR2B (0.51) POLBMAPTSMN1; SMN2HCRTR1HCRTR2
Glasdegib SCHEMBL29359708 0.85 EPHX1 (0.45) USP30KCNH2NPC1RAB9APOLB
Glasdegib SCHEMBL18184932 0.85 EPHX1 (0.45) USP30KCNH2NPC1RAB9APOLB
Glasdegib SCHEMBL22104131 0.85 EPHX1 (0.45) USP30KCNH2NPC1RAB9APOLB
Glasdegib SCHEMBL24503991 0.85 EPHX1 (0.45) USP30KCNH2NPC1RAB9APOLB
Glasdegib SCHEMBL2068480 0.85 EPHX1 (0.45) USP30KCNH2NPC1RAB9APOLB
Glasdegib SCHEMBL27100349 0.85 EPHX1 (0.45) USP30KCNH2NPC1RAB9APOLB
Glasdegib SCHEMBL2068016 0.84 EPHX1 (0.44) USP30KCNH2NPC1RAB9APOLB
Glasdegib SCHEMBL29362720 0.84 EPHX1 (0.44) USP30KCNH2NPC1RAB9APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210147359-A1 COMPOUNDS AND METHODS FOR TREATING CANCER DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-05-20 US disclosed
US-10934256-B2 Compounds and methods for treating cancer DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-03-02 US disclosed
US-10464897-B2 Compounds and methods for treating cancer DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-11-05 US disclosed
US-20180148410-A1 COMPOUNDS AND METHODS FOR TREATING CANCER DANA-FARBER CANCER INSTITUTE, INC. 2018-05-31 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-20180148410-A1 COMPOUNDS AND METHODS FOR TREATING CANCER GLI1, SHH, HRAS USP30 1994/4885KCNH2 4623/4885NPC1 350/4885
US-20210147359-A1 COMPOUNDS AND METHODS FOR TREATING CANCER GLI1, SHH, SMO USP30 1952/4885KCNH2 4494/4885NPC1 231/4885
US-10934256-B2 Compounds and methods for treating cancer GLI1, SHH, HRAS USP30 1994/4885KCNH2 4623/4885NPC1 350/4885
US-10464897-B2 Compounds and methods for treating cancer GLI1, SHH, HRAS USP30 1994/4885KCNH2 4623/4885NPC1 350/4885

“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.