SCHEMBL26858063

SCHEMBL26858063

Cc1ccccc1-c1ccc2nc(O)nc(C)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSD P07339 1/20 0.49
▸ BACE1 P56817 1/20 0.49
▸ CLK4 Q9HAZ1 10/20 0.48
▸ CYP1A2 P05177 9/20 0.48
▸ CYP3A4 P08684 9/20 0.48
▸ CYP2C19 P33261 9/20 0.48
▸ TSHR P16473 8/20 0.48
▸ CYP2D6 P10635 7/20 0.48
▸ ALDH1A1 P00352 7/20 0.48
▸ MAPK1 P28482 4/20 0.48
▸ CYP2C9 P11712 2/20 0.48
▸ LCK P06239 1/20 0.47
▸ KDR P35968 1/20 0.47
▸ JAK3 P52333 1/20 0.47
▸ MAPK14 Q16539 1/20 0.47
▸ MCL1 Q07820 1/20 0.47
▸ EGLN1 Q9GZT9 1/20 0.46
▸ NMT2 O60551 1/20 0.46
▸ NMT1 P30419 1/20 0.46
▸ LMNA P02545 3/20 0.44

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
SCHEMBL5157768 0.73 CTSD (0.60) CTSDBACE1CLK4CYP1A2CYP3A4
SCHEMBL26857255 0.73 CTSD (0.49) CTSDBACE1CLK4CYP1A2CYP3A4
SCHEMBL11581679 0.73 GPR3 (0.59) BACE1CYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL24108948 0.71 RXFP1 (0.49) ALDH1A1MEN1KMT2A
SCHEMBL14189996 0.70 MPO (0.58) ALDH1A1CYP2C9LMNAHSD17B10USP2
SCHEMBL9861710 0.70 LMNA (0.43) CYP1A2TSHRALDH1A1LMNAHSD17B10
SCHEMBL12575801 0.70 MPO (0.58) CYP1A2CYP2C19CYP2D6ALDH1A1CYP2C9
SCHEMBL24108914 0.70 ADORA2A (0.42) CLK4CYP1A2CYP3A4CYP2C19TSHR
SCHEMBL20071974 0.69 CYP1A2 (0.49) CTSDBACE1CLK4CYP1A2CYP3A4
SCHEMBL11037218 0.68 MCL1 (0.64) CTSDBACE1CYP3A4CYP2C19CYP2D6

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-20230365628-A1 MACROCYCLIC IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-11-16 — — 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-20230365628-A1 MACROCYCLIC IMMUNOMODULATORS CD274, PDCD1, PDCD1LG2 CTSD 2063/4885BACE1 2826/4885CLK4 3774/4885

“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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