SCHEMBL25640311

SCHEMBL25640311

C/C(=N\c1ccc(-c2cncs2)cc1)c1cncnc1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CD38 P28907 9/20 0.33
DYRK1A Q13627 2/20 0.33
CHEK1 O14757 1/20 0.33
CHEK2 O96017 1/20 0.33
ESR1 P03372 1/20 0.33
NOS1 P29475 1/20 0.33
GPR119 Q8TDV5 1/20 0.31
HDAC4 P56524 1/20 0.31
CREBBP Q92793 1/20 0.31
DYRK2 Q92630 1/20 0.30
DYRK1B Q9Y463 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
SCHEMBL25455499 0.76 PDPK1 (0.41) CHEK2ESR1HDAC4
SCHEMBL25640339 0.76 HTR3E (0.44) ESR1NOS1
SCHEMBL25640319 0.76 HTR3E (0.44) ESR1NOS1
SCHEMBL25642448 0.74 NOS1 (0.33) NOS1
SCHEMBL23973974 0.71 NOTUM (0.41) NOS1GPR119
SCHEMBL25454883 0.71 NOS3 (0.31) NOS1
SCHEMBL30463551 0.69 DYRK1A (0.47) CD38DYRK1ACHEK1CHEK2DYRK2
SCHEMBL25640352 0.69 VNN1 (0.31)
SCHEMBL25640424 0.68 HTR3E (0.50) ESR1NOS1
SCHEMBL25454601 0.68 NOS3 (0.46) NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025860-A1 SARS-COV-2 INHIBITORS FOR TREATING CORONAVIRUS INFECTIONS INSILICO MEDICINE IP LIMITED (HK) 2024-01-25 US disclosed
US-11731944-B2 SARS-CoV-2 inhibitors for treating coronavirus infections INSILICO MEDICINE IP LIMITED (HK) 2023-08-22 US disclosed
US-20230192624-A1 SARS-COV-2 INHIBITORS FOR TREATING CORONAVIRUS INFECTIONS INSILICO MEDICINE IP LIMITED (HK) 2023-06-22 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 (3 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-20240025860-A1 SARS-COV-2 INHIBITORS FOR TREATING CORONAVIRUS INFECTIONS ACE2, ACE, SARS1 CD38 2909/4885DYRK1A 4754/4885CHEK1 543/4885
US-20230192624-A1 SARS-COV-2 INHIBITORS FOR TREATING CORONAVIRUS INFECTIONS ACE2, ACE, SARS1 CD38 2909/4885DYRK1A 4754/4885CHEK1 543/4885
US-11731944-B2 SARS-CoV-2 inhibitors for treating coronavirus infections ACE2, ACE, SARS1 CD38 2909/4885DYRK1A 4754/4885CHEK1 543/4885

“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.