SCHEMBL25865286

SCHEMBL25865286

BC(=O)Nc1nc(CC)c(C(C)C)s1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
RORC P51449 1/20 0.35
CCR2 P41597 1/20 0.32
LMNA P02545 1/20 0.32
RXFP1 Q9HBX9 2/20 0.32
ATM Q13315 1/20 0.32
CYP1A2 P05177 1/20 0.32
GAA P10253 1/20 0.32
CYP2C9 P11712 1/20 0.32
PSEN1 P49768 3/20 0.31
PSEN2 P49810 3/20 0.31
APH1B Q8WW43 3/20 0.31
NCSTN Q92542 3/20 0.31
APH1A Q96BI3 3/20 0.31
PSENEN Q9NZ42 3/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 3/20 0.31

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
SCHEMBL24599440 0.88 RORC (0.33) MEN1KMT2ARORCRXFP1CYP1A2
SCHEMBL25865063 0.86 ALDH1A1 (0.43) MEN1KMT2ARORCCYP1A2CYP2C9
SCHEMBL24624425 0.79 RXFP1 (0.44) RXFP1CYP1A2GAACYP2C9PSEN1
SCHEMBL5060414 0.74 NPC1 (0.56) MEN1KMT2ALMNARXFP1GAA
SCHEMBL24599439 0.74 DYRK1A (0.33) RORCCCR2RXFP1CYP1A2GAA
SCHEMBL25865064 0.73 ALDH1A1 (0.43) LMNACYP1A2GAANPC1RAB9A
SCHEMBL330283 0.71 GPER1 (0.44) MEN1KMT2AGAASMN1; SMN2ALDH1A1
SCHEMBL24599379 0.69 PSEN1 (0.47) RXFP1CYP1A2GAACYP2C9PSEN1
SCHEMBL24599376 0.69 RAB9A (0.42) MEN1KMT2ARXFP1CYP1A2GAA
SCHEMBL15942761 0.66

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230227446-A9 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS NANJING ZHENGXIANG PHARMACEUTICALS CO., LTD. (CN) 2023-07-20 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 (1 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-20230227446-A9 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PI4KB, PI4KA, PIK3CD MEN1 2593/4885KMT2A 3265/4885RORC 1650/4885

“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.