SCHEMBL23960265

SCHEMBL23960265

CC(C)c1nn(C(C)C)c2c(N)nccc12

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RET P07949 14/20 0.36
KDR P35968 7/20 0.34
PIK3CD O00329 3/20 0.33
ABL1 P00519 3/20 0.33
EGFR P00533 3/20 0.33
HCK P08631 3/20 0.33
SRC P12931 3/20 0.33
PIK3CA P42336 3/20 0.33
PIK3CB P42338 3/20 0.33
MTOR P42345 3/20 0.33
PIK3CG P48736 3/20 0.33
EPHB4 P54760 3/20 0.33
PRKDC P78527 3/20 0.33
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
NOS3 P29474 2/20 0.32
NOS2 P35228 2/20 0.32
PI4KB Q9UBF8 1/20 0.32

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
SCHEMBL23239683 0.82 ADORA1 (0.36) ADORA2AADORA1NOS3NOS2
SCHEMBL25061711 0.78 NOS2 (0.33) ADORA2ANOS3NOS2
SCHEMBL23960225 0.74 RET (0.52) RETKDR
SCHEMBL20334656 0.72 ADORA2A (0.42) RETKDRPIK3CDABL1EGFR
SCHEMBL24492941 0.70 NOS2 (0.45) NOS3NOS2PI4KB
SCHEMBL18212231 0.69 ESR1 (0.41)
SCHEMBL18212234 0.67 PIK3CG (0.39) RETKDRPIK3CDABL1EGFR
SCHEMBL16375258 0.65 RET (0.40) RETKDR
SCHEMBL31065824 0.65 FFAR2 (0.42) ADORA2AADORA1NOS3NOS2PI4KB
SCHEMBL13708517 0.63 MPO (0.42) ADORA2AADORA1

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-20230058545-A1 HCK AS A THERAPEUTIC TARGET IN MYD88 MUTATED DISEASES DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-02-23 US disclosed
US-20220144843-A1 AMINONORBORNANE DERIVATIVE AND MANUFACTURE METHOD THEREFOR AND USE THEREOF TRANSTHERA SCIENCES (NANJING), INC. (CN) 2022-05-12 US disclosed
US-20210332057-A1 AMINONORBORNANE DERIVATIVE AND MANUFACTURE METHOD THEREFOR AND USE THEREOF TRANSTHERA SCIENCES (NANJING), INC. (CN) 2021-10-28 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-20230058545-A1 HCK AS A THERAPEUTIC TARGET IN MYD88 MUTATED DISEASES HCK, LYN, BTK RET 21/4885KDR 745/4885PIK3CD 668/4885
US-20210332057-A1 AMINONORBORNANE DERIVATIVE AND MANUFACTURE METHOD THEREFOR AND USE THEREOF BTK, LCK, SYK RET 1193/4885KDR 1518/4885PIK3CD 307/4885
US-20220144843-A1 AMINONORBORNANE DERIVATIVE AND MANUFACTURE METHOD THEREFOR AND USE THEREOF BTK, LCK, SYK RET 1193/4885KDR 1518/4885PIK3CD 307/4885

“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.