SCHEMBL4931444

SCHEMBL4931444

c1ncc2c(C3CC3)n[nH]c2n1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 1/20 0.35
▸ RPS6KA5 O75582 1/20 0.35
▸ AKT2 P31751 2/20 0.33
▸ RET P07949 1/20 0.32
▸ PI4KA P42356 1/20 0.32
▸ XDH P47989 1/20 0.32
▸ LRRK2 Q5S007 1/20 0.32
▸ PI4K2B Q8TCG2 1/20 0.32
▸ PI4K2A Q9BTU6 1/20 0.32
▸ PI4KB Q9UBF8 1/20 0.32
▸ GRM4 Q14833 1/20 0.30
▸ CYP17A1 P05093 1/20 0.30
▸ CYP1A2 P05177 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
SCHEMBL17837806 0.90 HRH3 (0.37) RPS6KA5CYP1A2
Hydrochloric Acid SCHEMBL17837499 0.89 CYP1A2 (0.36) CYP1A2
SCHEMBL17861731 0.79 RPS6KA5 (0.36) RPS6KA5AKT2
SCHEMBL1592938 0.76 GRM4 (0.32) HPGDSRETPI4KAXDHLRRK2
SCHEMBL6017727 0.74 TYRO3 (0.39) HPGDSRPS6KA5GRM4
SCHEMBL26745394 0.73 DDB1 (0.34) —
SCHEMBL1321549 0.72 RET (0.52) RPS6KA5RETPI4KAXDHLRRK2
SCHEMBL31001140 0.72 RET (0.52) RPS6KA5RETPI4KAXDHLRRK2
SCHEMBL24566893 0.72 CHEK1 (0.35) —
SCHEMBL22368670 0.72 PDK2 (0.47) —

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-20250221988-A1 COMPOUNDS AND METHODS OF TREATING CANCERS CULLGEN (SHANGHAI), INC. (CN) 2025-07-10 — — US disclosed
EP-4504716-A1 COMPOUNDS AND METHODS OF TREATING CANCERS Cullgen (Shanghai), Inc. (CN) 2025-02-12 — — EP disclosed
WO-2023193760-A1 COMPOUNDS AND METHODS OF TREATING CANCERS CULLGEN (SHANGHAI) , INC. (CN) 2023-10-12 — — WO disclosed
US-20080076774-A1 Kinase Modulators and Methods of Use EXELIXIS, INC. (US) 2008-03-27 — — 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 (2 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-20250221988-A1 COMPOUNDS AND METHODS OF TREATING CANCERS GSPT1, GSS, G6PC1 HPGDS 1056/4885RPS6KA5 3145/4885AKT2 3701/4885
US-20080076774-A1 Kinase Modulators and Methods of Use AKT3, RPS6KA3, CDK3 HPGDS 1141/4885RPS6KA5 9/4885AKT2 7/4885

“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.

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