SCHEMBL25545776

SCHEMBL25545776

CCOC(=O)c1n[nH]c2c1C[C@H]1C[C@@]1(C)C2

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITK Q08881 12/20 0.47
AURKA O14965 1/20 0.47
LCK P06239 1/20 0.47
RIPK1 Q13546 2/20 0.44
HSD17B1 P14061 1/20 0.41
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
KMT2A Q03164 1/20 0.40
HCAR2 Q8TDS4 2/20 0.39
POLB P06746 1/20 0.39
IL2 P60568 1/20 0.37

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
SCHEMBL23565145 1.00 ITK (0.47) ITKAURKALCKRIPK1HSD17B1
SCHEMBL23567665 1.00 ITK (0.47) ITKAURKALCKRIPK1HSD17B1
SCHEMBL24534976 0.90 HSD17B1 (0.43) ITKAURKALCKRIPK1HSD17B1
SCHEMBL24550654 0.84 HSD17B1 (0.39) ITKAURKALCKRIPK1HSD17B1
SCHEMBL18366060 0.82 HCAR2 (0.51) ITKAURKALCKRIPK1KMT2A
SCHEMBL23524806 0.82 HCAR2 (0.51) ITKAURKALCKRIPK1KMT2A
SCHEMBL23524945 0.82 HCAR2 (0.51) ITKAURKALCKRIPK1KMT2A
SCHEMBL24551159 0.82 HSD17B1 (0.38) ITKAURKALCKRIPK1HSD17B1
SCHEMBL19658997 0.81 ITK (0.48) ITKAURKALCKRIPK1HCAR2
SCHEMBL23564867 0.80 HSD17B1 (0.43) ITKAURKALCKHSD17B1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240132477-A1 Benzimidazole Derivatives and Their Use As Inhibitors of ITK For The Treatment of Skin Disease PFIZER INC. (US) 2024-04-25 US disclosed
US-20240124439-A1 Pyrido[2,3-D]Imidazole Derivatives and Their Use As Inhibitors of ITK for the Treatment of Skin Disease PFIZER INC. (US) 2024-04-18 US disclosed
EP-4263538-A1 PYRIDO[2,3-D]IMIDAZOLE DERIVATIVES AND THEIR USE AS INHIBITORS OF ITK FOR THE TEATMENT OF SKIN DISEASE Pfizer Inc. (US) 2023-10-25 EP disclosed
US-20230280220-A1 Benzimidazole Derivative Compounds and Uses Thereof PFIZER INC. (US) 2023-09-07 US disclosed
US-20230280220-A1 Benzimidazole Derivative Compounds and Uses Thereof PFIZER INC. (US) 2023-09-07 US disclosed
US-11661419-B2 Benzimidazole derivative compounds and uses thereof PFIZER INC. (US) 2023-05-30 US disclosed
US-11661419-B2 Benzimidazole derivative compounds and uses thereof PFIZER INC. (US) 2023-05-30 US disclosed
WO-2022130175-A1 PYRIDO[2,3-D]IMIDAZOLE DERIVATIVES AND THEIR USE AS INHIBITORS OF ITK FOR THE TEATMENT OF SKIN DISEASE PFIZER INC. (US) 2022-06-23 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-20240132477-A1 Benzimidazole Derivatives and Their Use As Inhibitors of ITK For The Treatment of Skin Disease ITK, BLK, BCKDK ITK 1/4885AURKA 410/4885LCK 170/4885
US-20240124439-A1 Pyrido[2,3-D]Imidazole Derivatives and Their Use As Inhibitors of ITK for the Treatment of Skin Disease ITK, PDXK, HRH4 ITK 1/4885AURKA 339/4885LCK 85/4885
US-11661419-B2 Benzimidazole derivative compounds and uses thereof ITK, HRH4, BLK ITK 1/4885AURKA 349/4885LCK 301/4885

“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.