SCHEMBL25199126

SCHEMBL25199126

Brc1ccc(I)cc1.O=C(O)c1cc(C(F)(F)F)ccn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.53
ALDH1A1 P00352 4/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
MRGPRX4 Q96LA9 1/20 0.45
KMO O15229 3/20 0.43
ASPH Q12797 3/20 0.42
ALKBH5 Q6P6C2 2/20 0.42
FTO Q9C0B1 2/20 0.42
KDM8 Q8N371 2/20 0.42
KDM6B O15054 1/20 0.42
TET3 O43151 1/20 0.42
KDM4A O75164 1/20 0.42
BBOX1 O75936 1/20 0.42
MAPT P10636 1/20 0.42
KDM5A P29375 1/20 0.42
KDM5C P41229 1/20 0.42
KDM4D Q6B0I6 1/20 0.42
TET2 Q6N021 1/20 0.42
KDM7A Q6ZMT4 1/20 0.42
TET1 Q8NFU7 1/20 0.42

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
SCHEMBL29537506 0.86 KDM4E (0.55) KDM4EALDH1A1SMN1; SMN2MRGPRX4KMO
SCHEMBL222146 0.86 KDM4E (0.55) KDM4EALDH1A1SMN1; SMN2MRGPRX4KMO
SCHEMBL31474567 0.85 MRGPRX4 (0.53) KDM4EALDH1A1SMN1; SMN2MRGPRX4KMO
SCHEMBL20271506 0.76 TRPV1 (0.58) SMN1; SMN2MAPTPYGLPYGMTRPV1
SCHEMBL29838843 0.74 NOS3 (0.52) ALDH1A1MRGPRX4KMOALKBH5FTO
SCHEMBL16094684 0.73 KDM4E (0.52) KDM4EALDH1A1SMN1; SMN2MRGPRX4KMO
SCHEMBL29537984 0.73 KDM4E (0.52) KDM4EALDH1A1SMN1; SMN2MRGPRX4KMO
SCHEMBL29537298 0.73 KDM4E (0.52) KDM4EALDH1A1SMN1; SMN2MRGPRX4KMO
SCHEMBL16094569 0.73 KDM4E (0.52) KDM4EALDH1A1SMN1; SMN2MRGPRX4KMO
SCHEMBL2678073 0.72 KMT2A (0.56) KDM4EALDH1A1MRGPRX4NOS3NOS2

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-20230364079-A1 COMPOUND AS BRAIN-PERMEABLE BTK OR HER2 INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF CHENGDU HYPERWAY PHARMACEUTICALS CO., LTD. (CN) 2023-11-16 US disclosed
US-20230257383-A1 COMPOUND SERVING AS BTK INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF CHENGDU HYPERWAY PHARMACEUTICALS CO., LTD. (CN) 2023-08-17 US disclosed
EP-4186906-A1 COMPOUND AS BRAIN-PERMEABLE BTK OR HER2 INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF Chengdu Hyperway Pharmaceuticals Co., Ltd. (CN) 2023-05-31 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 (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-20230257383-A1 COMPOUND SERVING AS BTK INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF BTK, WEE1, WEE2 KDM4E 2254/4885ALDH1A1 4238/4885SMN1; SMN2 4653/4885
US-20230364079-A1 COMPOUND AS BRAIN-PERMEABLE BTK OR HER2 INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF BTK, WEE2, WEE1 KDM4E 3586/4885ALDH1A1 4697/4885SMN1; SMN2 4402/4885

“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.