SCHEMBL21706148

SCHEMBL21706148

CC(C)c1cnn(-c2ccccc2C#N)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 2/20 0.41
KDM4E B2RXH2 1/20 0.40
BRD4 O60885 1/20 0.40
IRAK4 Q9NWZ3 2/20 0.39
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ERCC5 P28715 1/20 0.36
FEN1 P39748 1/20 0.36
MAPT P10636 1/20 0.35
CFTR P13569 3/20 0.35
KDM5A P29375 1/20 0.35
MCL1 Q07820 1/20 0.34
TSHR P16473 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34

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
SCHEMBL23909998 0.80 KDM4E (0.46) KDM4EIRAK4ALDH1A1HPGDNPC1
SCHEMBL20738212 0.80 KDM4E (0.46) CREBBPKDM4EBRD4ALDH1A1NPC1
SCHEMBL18254780 0.78 RXRA (0.40) ALDH1A1HPGDPOLBSMN1; SMN2
SCHEMBL21877551 0.76 BRD4 (0.42) CREBBPKDM4EBRD4ALDH1A1SMN1; SMN2
SCHEMBL17066201 0.76 ALDH1A1 (0.41) IRAK4ALDH1A1SMN1; SMN2
SCHEMBL23381882 0.76 CREBBP (0.41) CREBBPKDM4EBRD4SMN1; SMN2ERCC5
SCHEMBL21775967 0.76 HPGD (0.39) KDM4EIRAK4ALDH1A1HPGDNPC1
SCHEMBL21484069 0.76 CREBBP (0.41) CREBBPKDM4EBRD4SMN1; SMN2ERCC5
SCHEMBL18878391 0.76 GRM4 (0.45) POLBMAPTCFTR
SCHEMBL27748840 0.76 TDO2 (0.41) CREBBPKDM4EBRD4SMN1; SMN2ERCC5

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230014445-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE LOXO ONCOLOGY, INC. 2023-01-19 US disclosed
US-10807968-B2 Substituted 2-(het)arylimidazolylcarboxyamides as pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-10-20 US disclosed
US-20200048221-A1 SUBSTITUTED 2-(HET)ARYLIMIDAZOLYLCARBOXYAMIDES AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-02-13 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 (3 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-20200048221-A1 SUBSTITUTED 2-(HET)ARYLIMIDAZOLYLCARBOXYAMIDES AS PESTICIDES DDT, CYP4X1, CYP4Z1 CREBBP 4125/4885KDM4E 231/4885BRD4 2742/4885
US-10807968-B2 Substituted 2-(het)arylimidazolylcarboxyamides as pesticides DDT, CYP4X1, CYP4Z1 CREBBP 4125/4885KDM4E 231/4885BRD4 2742/4885
US-20230014445-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE PIK3CA, PIK3R4, PIK3R5 CREBBP 1081/4885KDM4E 2710/4885BRD4 3247/4885

“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.