SCHEMBL28798683

SCHEMBL28798683

CC[C@@H](N)c1cccc(C(F)(F)F)c1C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 3/20 0.42
▸ P2RX7 Q99572 1/20 0.40
▸ SOS1 Q07889 4/20 0.36
▸ IDO1 P14902 2/20 0.35
▸ TDO2 P48775 1/20 0.35
▸ TAS2R14 Q9NYV8 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ NOTUM Q6P988 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ MC4R P32245 1/20 0.33
▸ CTSK P43235 1/20 0.33
▸ NOS3 P29474 1/20 0.33
▸ NOS1 P29475 1/20 0.33
▸ NOS2 P35228 1/20 0.33
▸ HSD11B1 P28845 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
SCHEMBL28798686 1.00 CTSS (0.42) CTSSP2RX7SOS1IDO1TDO2
SCHEMBL28798674 0.86 P2RX7 (0.40) CTSSP2RX7SOS1IDO1TDO2
SCHEMBL28798677 0.86 P2RX7 (0.40) CTSSP2RX7SOS1IDO1TDO2
SCHEMBL1728842 0.85 MC4R (0.42) P2RX7IDO1TDO2POLBMAPK1
SCHEMBL1729214 0.85 MC4R (0.42) P2RX7IDO1TDO2POLBMAPK1
SCHEMBL12261511 0.85 MC4R (0.42) P2RX7IDO1TDO2POLBMAPK1
SCHEMBL23563546 0.82 P2RX7 (0.44) CTSSP2RX7SOS1IDO1TDO2
SCHEMBL27393729 0.81 P2RX7 (0.45) CTSSP2RX7SOS1TAS2R14POLB
SCHEMBL2759882 0.81 P2RX7 (0.45) CTSSP2RX7SOS1TAS2R14POLB
SCHEMBL20327116 0.80 P2RX7 (0.47) CTSSP2RX7SOS1IDO1TDO2

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-20220324862-A1 PYRIDOPYRIMIDINONE COMPOUNDS ACERAND THERAPEUTICS (USA) LIMITED 2022-10-13 — — US disclosed
CN-114539245-A Pyrimidine-fused ring derivative-containing regulator, and preparation method and application thereof 上海翰森生物医药科技有限公司 2022-05-27 — — CN 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-20220324862-A1 PYRIDOPYRIMIDINONE COMPOUNDS RSU1, SOST, CCNA1 CTSS 3880/4885P2RX7 87/4885SOS1 9/4885

“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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