SCHEMBL21859332

SCHEMBL21859332

CCCn1ccn(C)c1=N

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYR P14679 1/20 0.33
▸ NPC1 O15118 6/20 0.32
▸ RAB9A P51151 6/20 0.32
▸ HTT P42858 5/20 0.32
▸ LMNA P02545 3/20 0.32
▸ APOBEC3A P31941 2/20 0.32
▸ APOBEC3G Q9HC16 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ PABPC1 P11940 1/20 0.32
▸ MAPK1 P28482 3/20 0.31
▸ GALR3 O60755 2/20 0.31
▸ POLB P06746 2/20 0.31
▸ ATM Q13315 2/20 0.31
▸ NPSR1 Q6W5P4 2/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ HSP90AA1 P07900 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ RAD52 P43351 1/20 0.31
▸ PAX8 Q06710 1/20 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
SCHEMBL21859457 0.74 — —
SCHEMBL2267459 0.73 — —
SCHEMBL15906247 0.71 TYR (0.37) TYR
SCHEMBL972118 0.71 LPO (0.55) LMNAALDH1A1SMN1; SMN2LPO
Iodide SCHEMBL11215512 0.70 — —
SCHEMBL18686733 0.67 TYR (0.41) TYRALDH1A1
SCHEMBL9723505 0.67 LPO (0.41) TYRLMNAALDH1A1POLBATM
SCHEMBL22865979 0.64 — —
SCHEMBL21859338 0.63 POLB (0.42) NPC1RAB9AHTTLMNAAPOBEC3A
SCHEMBL257387 0.62 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230012362-A1 WDR5 INHIBITORS AND MODULATORS VANDERBILT UNIVERSITY 2023-01-12 — — US disclosed
US-10844044-B2 WDR5 inhibitors and modulators VANDERBILT UNIVERSITY (US) 2020-11-24 — — US disclosed
US-20200102288-A1 WDR5 INHIBITORS AND MODULATORS VANDERBILT UNIVERSITY 2020-04-02 — — 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 (3 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-20200102288-A1 WDR5 INHIBITORS AND MODULATORS WDR5, WDR1, WDR3 TYR 4489/4885NPC1 1048/4885RAB9A 1815/4885
US-20230012362-A1 WDR5 INHIBITORS AND MODULATORS WDR5, WDR1, WDR77 TYR 4273/4885NPC1 1581/4885RAB9A 1954/4885
US-10844044-B2 WDR5 inhibitors and modulators WDR5, WDR1, WDR3 TYR 4465/4885NPC1 1020/4885RAB9A 1904/4885

“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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