SCHEMBL25329418

SCHEMBL25329418

C[C@H](Oc1cc(Br)ccc1F)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.49
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
HTR2B P41595 1/20 0.49
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.42
GAA P10253 2/20 0.41
ALDH1A1 P00352 2/20 0.41
PTGDR2 Q9Y5Y4 3/20 0.41
PTGDR Q13258 1/20 0.41
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ATM Q13315 1/20 0.40
PPARG P37231 3/20 0.39
PPARA Q07869 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
PKM P14618 1/20 0.39
CYP2C19 P33261 1/20 0.39
FPR2 P25090 1/20 0.39

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
SCHEMBL25329420 1.00 TSHR (0.49) TSHRHTR2AHTR2CHTR2BKMT2A
SCHEMBL21057107 0.87 TSHR (0.49) TSHRHTR2AHTR2CHTR2BKMT2A
SCHEMBL21060784 0.87 TSHR (0.49) TSHRHTR2AHTR2CHTR2BKMT2A
SCHEMBL21057104 0.87 TSHR (0.49) TSHRHTR2AHTR2CHTR2BKMT2A
SCHEMBL29530222 0.84 ALDH1A1 (0.42) KMT2AGAAALDH1A1LMNASMN1; SMN2
SCHEMBL27235800 0.84 ALDH1A1 (0.42) KMT2AGAAALDH1A1LMNASMN1; SMN2
SCHEMBL29091950 0.84 ALDH1A1 (0.42) KMT2AGAAALDH1A1LMNASMN1; SMN2
SCHEMBL11297323 0.83 KMT2A (0.49) TSHRHTR2AHTR2CHTR2BKMT2A
SCHEMBL233034 0.82 TDP1 (0.56) TSHRHTR2AHTR2CHTR2BKMT2A
SCHEMBL10207269 0.82 TSHR (0.54) TSHRHTR2AHTR2CHTR2BKMT2A

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-11795172-B2 Substituted imidazo[1,2-b]pyridazines and [1,2,4]triazolo[4,3-b]pyridazines as CaMKII inhibitors CARDURION PHARMACEUTICALS, INC. (US) 2023-10-24 US disclosed
CN-116940354-A Fused heteroaryl compounds and their use as CaMKII inhibitors 卡都瑞恩医药股份有限公司 2023-10-24 CN disclosed
EP-4216948-A1 FUSED HETEROARYL COMPOUNDS AND THEIR USE AS CAMKII INHIBITORS Cardurion Pharmaceuticals, Inc. (US) 2023-08-02 EP 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 (1 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-11795172-B2 Substituted imidazo[1,2-b]pyridazines and [1,2,4]triazolo[4,3-b]pyridazines as CaMKII inhibitors CAMK2B, RYR2, CAMK2A TSHR 885/4885HTR2A 1228/4885HTR2C 1082/4885

“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.