SCHEMBL21859458

SCHEMBL21859458

CC(C)n1ccn(-c2ccccc2)c1=N

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.34
CYP1A2 P05177 2/20 0.33
FGFR1 P11362 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
NOTUM Q6P988 1/20 0.33
ALOX15B O15296 1/20 0.33
CYP3A4 P08684 1/20 0.33
GAA P10253 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
COMT P21964 1/20 0.33
HTT P42858 2/20 0.32
ATM Q13315 1/20 0.32
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
ALDH1A1 P00352 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 2/20 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
SCHEMBL22795386 0.79 SIGMAR1 (0.42) CYP1A2L3MBTL1NOTUMCYP3A4CYP2D6
SCHEMBL18937415 0.77 DDB1 (0.40) FDPSCYP1A2NOTUMCOMTHTT
SCHEMBL21859333 0.74 INMT (0.40) CYP1A2L3MBTL1NOTUMALOX15BCYP3A4
SCHEMBL24885968 0.66 LPO (0.32)
SCHEMBL12534008 0.63 ATM (0.41) CYP1A2L3MBTL1NOTUMALOX15BCYP3A4
SCHEMBL12040840 0.63 ATM (0.45) CYP1A2FGFR1NOTUMCYP3A4GAA
SCHEMBL14518808 0.61 PDE4A (0.44) FDPSCYP1A2L3MBTL1ALOX15BCYP3A4
SCHEMBL17211130 0.61 INMT (0.44) CYP1A2L3MBTL1NOTUMCYP3A4CYP2C9
SCHEMBL17660251 0.60 ELANE (0.41) CYP1A2COMTALDH1A1SMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL28230658 0.60 PDE4A (0.43) FDPSCYP1A2L3MBTL1ALOX15BCYP3A4

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-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 (2 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 FDPS 3055/4885CYP1A2 4254/4885FGFR1 3623/4885
US-10844044-B2 WDR5 inhibitors and modulators WDR5, WDR1, WDR3 FDPS 3088/4885CYP1A2 4276/4885FGFR1 3617/4885

“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.