SCHEMBL24302409

SCHEMBL24302409

CN(C)c1ccc2cc(C(=O)NC(CCCNC(=N)CCl)c3ncc(-c4ccccc4)o3)ccc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 2/20 0.45
▸ PDE4B Q07343 2/20 0.45
▸ PDE4C Q08493 2/20 0.45
▸ PDE4D Q08499 2/20 0.45
▸ PADI6 Q6TGC4 1/20 0.45
▸ PADI4 Q9UM07 1/20 0.45
▸ PADI2 Q9Y2J8 1/20 0.45
▸ HDAC1 Q13547 3/20 0.38
▸ HDAC6 Q9UBN7 3/20 0.38
▸ HDAC3 O15379 2/20 0.38
▸ HDAC4 P56524 2/20 0.38
▸ HDAC7 Q8WUI4 2/20 0.38
▸ HDAC2 Q92769 2/20 0.38
▸ HDAC10 Q969S8 2/20 0.38
▸ HDAC11 Q96DB2 2/20 0.38
▸ HDAC8 Q9BY41 2/20 0.38
▸ HDAC9 Q9UKV0 2/20 0.38
▸ HDAC5 Q9UQL6 2/20 0.38
▸ S1PR2 O95136 1/20 0.37
▸ S1PR4 O95977 1/20 0.37

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
SCHEMBL24302111 1.00 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DPADI6
SCHEMBL24301582 0.93 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DPADI6
SCHEMBL24301580 0.93 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DPADI6
SCHEMBL29717153 0.93 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DPADI6
SCHEMBL29025628 0.92 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DPADI6
SCHEMBL26902790 0.90 HDAC1 (0.39) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL29025661 0.88 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DPADI6
SCHEMBL30504325 0.88 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DPADI6
SCHEMBL29025662 0.88 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DPADI6
SCHEMBL24301584 0.87 UTS2R (0.38) PDE4APDE4BPDE4CPDE4DPADI6

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-20230381146-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND USE THEREOF HELIOS HUAMING BIOPHARMA CO., LTD. (CN) 2023-11-30 — — US disclosed
WO-2022078294-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND USE THEREOF HELIOS HUAMING BIOPHARMA CO., LTD. (CN) 2022-04-21 — — WO 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-20230381146-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND USE THEREOF SSB, BTK, PADI6 PDE4A 56/4885PDE4B 66/4885PDE4C 102/4885

“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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