SCHEMBL24813382

SCHEMBL24813382

CCc1ccc(C(C)(C)C)cc1CNC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
EPHX2 P34913 6/20 0.39
NR1H4 Q96RI1 5/20 0.39
ALDH1A1 P00352 2/20 0.39
HTR1D P28221 2/20 0.39
HTR1B P28222 2/20 0.39
HTR1A P08908 1/20 0.39
CYP2D6 P10635 1/20 0.39
ESR1 P03372 2/20 0.38
ESR2 Q92731 2/20 0.38
HTR2A P28223 3/20 0.37
SLC6A4 P31645 3/20 0.37
KCNH2 Q12809 3/20 0.37
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36

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
Methylamine SCHEMBL28262977 0.80 CYP1A2 (0.46) CYP1A2CYP2C19ALDH1A1HTR1DHTR1B
SCHEMBL15828707 0.79 HTR2A (0.41) CYP1A2CYP2C19EPHX2ALDH1A1HTR1D
SCHEMBL7918774 0.76 CYP1A2 (0.40) CYP1A2CYP2C19ALDH1A1HTR1DCYP2D6
SCHEMBL22765684 0.76 KDM4E (0.49) ALDH1A1HTR2ASLC6A4KCNH2HSD17B10
SCHEMBL26378315 0.76 EPHX2 (0.42) EPHX2NR1H4CYP2D6ESR1ESR2
SCHEMBL28539089 0.76 CYP1A2 (0.42) CYP1A2CYP2C19ALDH1A1HTR1DHTR1B
SCHEMBL23408935 0.76 ALDH1A1 (0.40) CYP1A2CYP2C19ALDH1A1HTR1DHTR1B
SCHEMBL15829272 0.75 SLC6A4 (0.48) HTR2ASLC6A4KCNH2
SCHEMBL10162939 0.75 EPHX2 (0.45) CYP1A2CYP2C19EPHX2NR1H4ALDH1A1
SCHEMBL10235450 0.75 CYP2D6 (0.42) CYP1A2CYP2C19EPHX2NR1H4ALDH1A1

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-11691963-B2 6-heteroaryloxy benzimidazoles and azabenzimidazoles as JAK2 inhibitors AJAX THERAPEUTICS, INC. (US) 2023-07-04 US disclosed
US-20220411403-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS AJAX THERAPEUTICS, INC. 2022-12-29 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 (2 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-20220411403-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS JAK2, JAK3, STAT5B CYP1A2 3220/4885CYP2C19 2386/4885EPHX2 4140/4885
US-11691963-B2 6-heteroaryloxy benzimidazoles and azabenzimidazoles as JAK2 inhibitors JAK2, JAK3, STAT5B CYP1A2 3220/4885CYP2C19 2386/4885EPHX2 4140/4885

“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.