SCHEMBL23940218

SCHEMBL23940218

CC(C)(C)n1nc(C(=O)N2CCOCC2)c2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
HTR2C P28335 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
HPGD P15428 1/20 0.46
CYP2C19 P33261 1/20 0.46
GRM5 P41594 1/20 0.44
RBP4 P02753 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TSHR P16473 2/20 0.43
DRD2 P14416 1/20 0.42
HTR2A P28223 1/20 0.42

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
SCHEMBL23940217 0.83 ATM (0.74) ATML3MBTL1ALDH1A1KDM4ENPC1
SCHEMBL23940224 0.74 ALDH1A1 (0.50) ALDH1A1KDM4ESMN1; SMN2MAPTCYP1A2
SCHEMBL23940248 0.72 EGFR (0.41) KDM4EMEN1KMT2A
SCHEMBL17322916 0.72 L3MBTL1 (0.50) ATML3MBTL1ALDH1A1KDM4ENPC1
SCHEMBL27249759 0.70 MEN1 (0.72) ATML3MBTL1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL23940225 0.69 HDAC6 (0.56) ALDH1A1KDM4ESMN1; SMN2MAPTCYP1A2
SCHEMBL27249712 0.69 DRD2 (0.60) ATML3MBTL1ALDH1A1KDM4EMAPT
SCHEMBL29806029 0.68 FLT3 (0.69) ATML3MBTL1ALDH1A1MAPTHPGD
SCHEMBL20181949 0.68 FLT3 (0.69) ATML3MBTL1ALDH1A1MAPTHPGD
SCHEMBL23940253 0.68 KDM4E (0.42) ALDH1A1KDM4ECYP3A4CYP2C19MEN1

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-20210323966-A1 IMIDAZOPYRIDAZINE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2021-10-21 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-20210323966-A1 IMIDAZOPYRIDAZINE COMPOUNDS TYK2, JAK3, JAK1 ATM 1846/4885L3MBTL1 4816/4885ALDH1A1 2637/4885

“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.