SCHEMBL23524945

SCHEMBL23524945

C[C@]12Cc3[nH]nc(C(=O)O)c3C[C@H]1C2

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 15/20 0.51
AURKA O14965 1/20 0.51
LCK P06239 1/20 0.51
ITK Q08881 1/20 0.51
RIPK1 Q13546 2/20 0.48
KMT2A Q03164 1/20 0.44
TSHR P16473 1/20 0.43

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
SCHEMBL23524806 1.00 HCAR2 (0.51) HCAR2AURKALCKITKRIPK1
SCHEMBL18366060 1.00 HCAR2 (0.51) HCAR2AURKALCKITKRIPK1
SCHEMBL19658997 0.87 ITK (0.48) HCAR2AURKALCKITKRIPK1
SCHEMBL23565145 0.82 ITK (0.47) HCAR2AURKALCKITKRIPK1
SCHEMBL23567665 0.82 ITK (0.47) HCAR2AURKALCKITKRIPK1
SCHEMBL16516777 0.78 HCAR2 (0.52) HCAR2KMT2ATSHR
SCHEMBL16547215 0.78 HCAR2 (0.52) HCAR2KMT2ATSHR
SCHEMBL23567958 0.75 ITK (0.40) AURKALCKITKRIPK1
SCHEMBL23524790 0.74 HCAR2 (0.49) HCAR2KMT2ATSHR
SCHEMBL23524992 0.74 HCAR2 (0.49) HCAR2KMT2ATSHR

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-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-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
US-20210188829-A1 Chemical Compounds PFIZER INC. (US) 2021-06-24 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 (4 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 HCAR2 2244/4885AURKA 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 HCAR2 1608/4885AURKA 339/4885LCK 85/4885
US-11661419-B2 Benzimidazole derivative compounds and uses thereof ITK, HRH4, BLK HCAR2 2282/4885AURKA 349/4885LCK 301/4885
US-20210188829-A1 Chemical Compounds ITK, HRH4, HRH1 HCAR2 1632/4885AURKA 283/4885LCK 152/4885

“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.