SCHEMBL23940236

SCHEMBL23940236

CC(C)(C)n1cc(C(=O)Nc2ccccc2)c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 6/20 0.51
EP300 Q09472 1/20 0.51
ALDH1A1 P00352 3/20 0.50
LMNA P02545 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NPC1 O15118 2/20 0.47
HPGD P15428 2/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
RAB9A P51151 1/20 0.46
EGFR P00533 1/20 0.46
FGFR1 P11362 1/20 0.46
SRC P12931 1/20 0.46
BCAT2 O15382 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
KDM4E B2RXH2 1/20 0.44
TP53 P04637 1/20 0.44
HTT P42858 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL23940219 0.86 TSHR (0.54) ALDH1A1SMN1; SMN2NPC1HPGDMEN1
SCHEMBL15458754 0.82 SMN1; SMN2 (0.51) CREBBPALDH1A1LMNASMN1; SMN2NPC1
SCHEMBL3924368 0.82 ALDH1A1 (0.53) ALDH1A1LMNAL3MBTL1KDM4EHTT
SCHEMBL6005094 0.81 MAOB (0.61) CREBBPEP300ALDH1A1LMNASMN1; SMN2
SCHEMBL23940249 0.80 BRD4 (0.55) CREBBPALDH1A1LMNAL3MBTL1KDM4E
SCHEMBL23940153 0.80 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL23940202 0.78 LMNA (0.46) CREBBPALDH1A1LMNASMN1; SMN2L3MBTL1
SCHEMBL22810540 0.78 CREBBP (0.51) CREBBPEP300ALDH1A1LMNASMN1; SMN2
SCHEMBL13209353 0.78 NR4A2 (0.65) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL23940222 0.77 KMT2A (0.47) CREBBPALDH1A1LMNASMN1; SMN2MEN1

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 CREBBP 1002/4885EP300 2236/4885ALDH1A1 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.