SCHEMBL23940219

SCHEMBL23940219

CC(C)(C)n1cc(C(=O)Nc2cccnc2)c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.54
ALDH1A1 P00352 2/20 0.52
KDM4E B2RXH2 2/20 0.52
MEN1 O00255 1/20 0.52
HPGD P15428 1/20 0.52
KMT2A Q03164 1/20 0.52
NAMPT P43490 8/20 0.52
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
HSD17B10 Q99714 2/20 0.52
CYP11B2 P19099 2/20 0.51
SMN1; SMN2 Q16637 3/20 0.49
HTT P42858 1/20 0.48
MAPT P10636 1/20 0.47
CYP11B1 P15538 1/20 0.47

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
SCHEMBL23940236 0.86 CREBBP (0.51) ALDH1A1KDM4EMEN1HPGDKMT2A
SCHEMBL9165502 0.84 HTR2C (0.61) ALDH1A1KDM4EMEN1HPGDKMT2A
SCHEMBL22810515 0.81 MEN1 (0.56) TSHRALDH1A1KDM4EMEN1HPGD
SCHEMBL19276665 0.76 SMN1; SMN2 (0.63) ALDH1A1KDM4EMEN1HPGDKMT2A
SCHEMBL15458754 0.74 SMN1; SMN2 (0.51) ALDH1A1KDM4EMEN1KMT2ANPC1
SCHEMBL23940249 0.73 BRD4 (0.55) ALDH1A1KDM4E
SCHEMBL23940153 0.73 ALDH1A1 (0.50) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL18132518 0.72 ALDH1A1 (0.72) TSHRALDH1A1KDM4EMEN1HPGD
SCHEMBL27874715 0.72 ALDH1A1 (0.63) TSHRALDH1A1KDM4EMEN1HPGD
SCHEMBL3924368 0.72 ALDH1A1 (0.53) ALDH1A1KDM4EHTTMAPT

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 TSHR 837/4885ALDH1A1 2637/4885KDM4E 2484/4885

“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.