SCHEMBL24007396

SCHEMBL24007396

CC(C)(C)c1cc(N)nn1CCC#N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.37
GAA P10253 2/20 0.37
KDM4E B2RXH2 2/20 0.35
PKM P14618 1/20 0.35
MAPK14 Q16539 1/20 0.34
ALDH1A1 P00352 4/20 0.34
MAPT P10636 3/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP1A2 P05177 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
ALOX15 P16050 1/20 0.33
KMT2A Q03164 1/20 0.33
GLA P06280 1/20 0.33
CNR1 P21554 5/20 0.33
CNR2 P34972 5/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
RECQL P46063 1/20 0.32
MAPK1 P28482 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL24007376 0.83 POLB (0.32) ALDH1A1CYP1A2
SCHEMBL24006947 0.82 TSHR (0.50) TSHRGAAKDM4EPKMMAPK14
SCHEMBL24813971 0.82 MAPK14 (0.45) TSHRGAAKDM4EPKMMAPK14
SCHEMBL31106088 0.78 TSHR (0.42) TSHRGAAKDM4EPKMALDH1A1
SCHEMBL24007196 0.78 CNR1 (0.41) CNR1CNR2
SCHEMBL24007032 0.75 CNR1 (0.34) CNR1CNR2
SCHEMBL24007392 0.75 TSHR (0.39) TSHRGAAKDM4EPKMMAPK14
SCHEMBL668532 0.74 MAPK14 (0.44) TSHRGAAKDM4EPKMMAPK14
SCHEMBL24007383 0.70 CDK9 (0.31)
SCHEMBL16446435 0.69 KDM4E (0.33) KDM4ECNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230265075-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS AJAX THERAPEUTICS, INC. 2023-08-24 US disclosed
US-20230265075-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS AJAX THERAPEUTICS, INC. 2023-08-24 US disclosed
US-11691963-B2 6-heteroaryloxy benzimidazoles and azabenzimidazoles as JAK2 inhibitors AJAX THERAPEUTICS, INC. (US) 2023-07-04 US disclosed
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
WO-2022140527-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS AJAX THERAPEUTICS, INC. (US) 2022-06-30 WO disclosed
WO-2021226261-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS AJAX THERAPEUTICS, INC. (US) 2021-11-11 WO 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-20220411403-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS JAK2, JAK3, STAT5B TSHR 1333/4885GAA 2648/4885KDM4E 444/4885
US-20230265075-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS JAK2, JAK3, STAT5B TSHR 1333/4885GAA 2648/4885KDM4E 444/4885
US-11691963-B2 6-heteroaryloxy benzimidazoles and azabenzimidazoles as JAK2 inhibitors JAK2, JAK3, STAT5B TSHR 1333/4885GAA 2648/4885KDM4E 444/4885

“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.