SCHEMBL19544895

SCHEMBL19544895

CCOC(=O)c1[nH]nc(-c2ccc3c(cnn3-c3ccccc3)c2)c1C#N

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.44
▸ ALDH1A1 P00352 7/20 0.44
▸ HPGD P15428 5/20 0.44
▸ RECQL P46063 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ CHEK1 O14757 3/20 0.42
▸ KCNH2 Q12809 3/20 0.42
▸ NR3C1 P04150 4/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ HSD17B10 Q99714 1/20 0.39
▸ SQOR Q9Y6N5 1/20 0.39
▸ SMO Q99835 1/20 0.39
▸ HPGDS O60760 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
SCHEMBL19544633 0.86 ALDH1A1 (0.45) KDM4EALDH1A1HPGDNR3C1SMN1; SMN2
SCHEMBL19544886 0.78 HPGDS (0.54) KDM4EALDH1A1HPGDKMT2ANR3C1
SCHEMBL19544473 0.76 SCN9A (0.51) KDM4EALDH1A1HPGDRECQLKMT2A
SCHEMBL19533615 0.74 NR3C1 (0.45) NR3C1SMO
SCHEMBL19544753 0.73 HPGDS (0.46) KDM4EALDH1A1HPGDRECQLKMT2A
SCHEMBL19544896 0.73 NPSR1 (0.42) KDM4EALDH1A1HPGDRECQLKMT2A
SCHEMBL25060474 0.71 FNTA (0.40) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL19545219 0.70 MAPT (0.47) KDM4EALDH1A1HPGDKMT2ASMN1; SMN2
SCHEMBL19544636 0.69 KDM4E (0.39) KDM4EALDH1A1HPGDKMT2ASMN1; SMN2
SCHEMBL19544300 0.69 HPGD (0.44) KDM4EALDH1A1HPGDKMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3246317-B1 BTK INHIBITOR HUBEI BIO PHARMACEUTICAL INDUSTRIAL TECH INSTITUTE INC (CN) 2023-02-22 — — EP disclosed
US-10662174-B2 BTK inhibitor HUBEI BIO-PHARMACEUTICAL INDUSTRIAL TECHNOLOGICAL INSTITUTE, INC. (CN) 2020-05-26 — — US disclosed
EP-3246317-A1 BTK INHIBITOR Hubei Bio-Pharmaceutical Industrial Technological Institute Inc. (CN) 2017-11-22 — — EP disclosed
US-20170313683-A1 BTK INHIBITOR HUBEI BIO-PHARMACEUTICAL INDUSTRIAL TECHNOLOGICAL INSTITUTE, INC. (CN) 2017-11-02 — — 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 (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-10662174-B2 BTK inhibitor BTK, SYK, LYN KDM4E 898/4885ALDH1A1 4122/4885HPGD 4511/4885
US-20170313683-A1 BTK INHIBITOR BTK, SYK, LYN KDM4E 898/4885ALDH1A1 4122/4885HPGD 4511/4885

“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.

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