SCHEMBL23940243

SCHEMBL23940243

COCCNC(=O)c1cn(C(C)(C)C)c2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
KDM4E B2RXH2 7/20 0.50
CREBBP Q92793 1/20 0.50
POLB P06746 1/20 0.48
MAPK1 P28482 1/20 0.48
HPGD P15428 2/20 0.47
ABL1 P00519 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
RIN1 Q13671 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
KMT2A Q03164 2/20 0.46
BCHE P06276 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
TP53 P04637 1/20 0.44
MEN1 O00255 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
SCHEMBL23940249 0.84 BRD4 (0.55) ALDH1A1KDM4ECREBBPMAPK1BCHE
SCHEMBL23940144 0.84 CREBBP (0.49) ALDH1A1KDM4ECREBBPBCHEHDAC1
SCHEMBL23940245 0.83 ALDH1A1 (0.83) ALDH1A1KDM4ECREBBPHPGDABL1
SCHEMBL23940202 0.82 LMNA (0.46) ALDH1A1KDM4ECREBBPMAPK1SMN1; SMN2
SCHEMBL23940222 0.81 KMT2A (0.47) ALDH1A1CREBBPPOLBSMN1; SMN2HSD17B10
SCHEMBL13209353 0.79 NR4A2 (0.65) ALDH1A1KDM4EPOLBSMN1; SMN2TSHR
SCHEMBL23940153 0.79 ALDH1A1 (0.50) ALDH1A1KDM4ESMN1; SMN2KMT2AMEN1
SCHEMBL23940236 0.76 CREBBP (0.51) ALDH1A1KDM4ECREBBPHPGDSMN1; SMN2
SCHEMBL15458754 0.74 SMN1; SMN2 (0.51) ALDH1A1KDM4ECREBBPPOLBCYP1A2
SCHEMBL3924368 0.74 ALDH1A1 (0.53) ALDH1A1KDM4EPOLBMAPK1

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-20210323966-A1 IMIDAZOPYRIDAZINE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2021-10-21 US disclosed
US-20170037399-A1 CHIRAL DESIGN WAVE LIFE SCIENCES LTD. (SG) 2017-02-09 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 ALDH1A1 2637/4885KDM4E 2484/4885CREBBP 1002/4885

“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.