SCHEMBL22015514

SCHEMBL22015514

c1cc(-c2cccc3[nH]ccc23)c2[nH]ncc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 6/20 0.59
PIK3CB P42338 4/20 0.59
NOS1 P29475 3/20 0.45
PIK3CG P48736 2/20 0.45
HSP90AA1 P07900 1/20 0.42
IDO1 P14902 1/20 0.42
CDK2 P24941 1/20 0.42
DHFR P00374 1/20 0.41
PIM1 P11309 2/20 0.40
GSK3B P49841 2/20 0.40
PLK4 O00444 1/20 0.40
CHEK1 O14757 1/20 0.40
AURKA O14965 1/20 0.40
DAPK3 O43293 1/20 0.40
MAP4K4 O95819 1/20 0.40
CSF1R P07333 1/20 0.40
RET P07949 1/20 0.40
FGFR1 P11362 1/20 0.40
PDGFRA P16234 1/20 0.40
LTK P29376 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
SCHEMBL3064844 0.81 NOS1 (0.63) NOS1HSP90AA1IDO1CDK2PLK4
SCHEMBL20540332 0.77 PIK3CD (0.64) PIK3CDPIK3CBPIK3CGDHFRAHR
SCHEMBL19346097 0.76 PIK3CD (0.45) PIK3CDPIK3CBNOS1PIK3CGDHFR
SCHEMBL28736122 0.76 PIK3CD (0.49) PIK3CDPIK3CBNOS1HSP90AA1IDO1
SCHEMBL29592536 0.76 PIK3CD (0.49) PIK3CDPIK3CBNOS1HSP90AA1IDO1
SCHEMBL20078834 0.76 PIK3CD (0.44) PIK3CDPIK3CBNOS1PIK3CGDHFR
SCHEMBL22013889 0.74 PIK3CD (0.53) PIK3CDPIK3CBPIK3CGDHFRKDM4E
SCHEMBL21324055 0.72 NOS1 (0.45) NOS1HSP90AA1IDO1CDK2PLK4
SCHEMBL20866826 0.71 ADRA2A (0.49) PIK3CBNOS1HSP90AA1IDO1CDK2
SCHEMBL4752843 0.69 NOS1 (0.53) NOS1HSP90AA1IDO1CDK2PIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230331673-A1 COMPOSITION OF COMPOUNDS THAT MODULATE CELL METABOLISM AND METHODS OF USE CRESCENTA BIOSCIENCES (US) 2023-10-19 US disclosed
EP-3218372-B1 MORPHOLINE AND 1,4-OXAZEPANE AMIDES AS SOMATOSTATIN RECEPTOR SUBTYPE 4 (SSTR4) AGONISTS BOEHRINGER INGELHEIM INT (DE) 2020-05-20 EP 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-20230331673-A1 COMPOSITION OF COMPOUNDS THAT MODULATE CELL METABOLISM AND METHODS OF USE FABP4, FABP1, FABP3 PIK3CD 4831/4885PIK3CB 4679/4885NOS1 3839/4885

“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.