SCHEMBL20583237

SCHEMBL20583237

Nc1ncc(SCc2ccccn2)s1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.55
SMN1; SMN2 Q16637 6/20 0.55
NPC1 O15118 5/20 0.55
CDK2 P24941 1/20 0.46
KDM4E B2RXH2 2/20 0.44
LMNA P02545 2/20 0.43
MAPT P10636 6/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2E1 P05181 2/20 0.42
CYP2C8 P10632 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2B6 P20813 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP3A4 P08684 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GRM4 Q14833 1/20 0.40
GAA P10253 2/20 0.40
MYC P01106 1/20 0.40
WDR5 P61964 1/20 0.40

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
SCHEMBL20583375 0.83 RAB9A (0.57) RAB9ASMN1; SMN2NPC1KDM4ELMNA
SCHEMBL956877 0.79 GRM4 (0.49) RAB9ASMN1; SMN2NPC1CDK2CYP3A4
SCHEMBL7478025 0.75 NPC1 (0.79) RAB9ASMN1; SMN2NPC1KDM4ELMNA
SCHEMBL20583097 0.74 CDK2 (0.48) RAB9ASMN1; SMN2CDK2KDM4ELMNA
SCHEMBL18613599 0.74 CDK2 (0.57) RAB9ASMN1; SMN2NPC1CDK2KDM4E
SCHEMBL3904545 0.74 RAB9A (0.47) RAB9ASMN1; SMN2NPC1CDK2MAPT
SCHEMBL2591470 0.74 GAA (0.58) RAB9ASMN1; SMN2NPC1CDK2LMNA
SCHEMBL211069 0.72 EHMT2 (0.44) RAB9ANPC1KDM4EMAPTL3MBTL1
SCHEMBL10714181 0.72 SMN1; SMN2 (0.60) RAB9ASMN1; SMN2NPC1KDM4ELMNA
SCHEMBL31063816 0.72 EPHX2 (0.50) RAB9ASMN1; SMN2NPC1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4019515-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASES Dana-Farber Cancer Institute, Inc. (US) 2022-06-29 EP disclosed
US-20220055998-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASES DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-02-24 US disclosed
US-20220055998-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASES DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-02-24 US disclosed
US-11142507-B2 Inhibitors of cyclin-dependent kinases DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-10-12 US disclosed
US-11142507-B2 Inhibitors of cyclin-dependent kinases DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-10-12 US disclosed
US-20200172499-A9 INHIBITORS OF CYCLIN-DEPENDENT KINASES DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-06-04 US disclosed
US-20200172499-A9 INHIBITORS OF CYCLIN-DEPENDENT KINASES DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-06-04 US disclosed
US-20180362483-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASES DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-12-20 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-11142507-B2 Inhibitors of cyclin-dependent kinases CDK1, CDK13, CDK3 RAB9A 2875/4885SMN1; SMN2 1523/4885NPC1 4721/4885
US-20200172499-A9 INHIBITORS OF CYCLIN-DEPENDENT KINASES CDK1, CDK13, CDK3 RAB9A 2875/4885SMN1; SMN2 1523/4885NPC1 4721/4885
US-20180362483-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASES CDK1, CDK13, CDK3 RAB9A 2875/4885SMN1; SMN2 1523/4885NPC1 4721/4885
US-20220055998-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASES CDK1, CDK13, CDK3 RAB9A 2875/4885SMN1; SMN2 1523/4885NPC1 4721/4885

“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.