SCHEMBL19533626

SCHEMBL19533626

CC(=O)c1[nH]nc(-c2ccc(C3OCCO3)cc2)c1I

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 2/20 0.36
▸ SLC6A3 Q01959 1/20 0.36
▸ TAAR1 Q96RJ0 1/20 0.36
▸ CCNB2 O95067 1/20 0.34
▸ CDK1 P06493 1/20 0.34
▸ CCNB1 P14635 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ CDK5 Q00535 1/20 0.34
▸ CDK5R1 Q15078 1/20 0.34
▸ CCNB3 Q8WWL7 1/20 0.34
▸ MAPK1 P28482 1/20 0.32
▸ RAB9A P51151 2/20 0.31
▸ HTR2B P41595 1/20 0.30
▸ MAPK11 Q15759 2/20 0.30
▸ MAPK14 Q16539 2/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ MAPT P10636 1/20 0.30

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
SCHEMBL19544721 0.83 KDM4E (0.41) RAB9AALDH1A1MAPT
SCHEMBL19624694 0.73 MAPT (0.46) KCNH2SLC6A3TAAR1RAB9AHTR2B
SCHEMBL19533624 0.71 ALPL (0.47) GSK3BCDK5RAB9AMAPK14MAPT
SCHEMBL19533553 0.71 ERBB2 (0.41) RAB9AALDH1A1MAPT
SCHEMBL19533664 0.70 FFAR1 (0.39) RAB9AALDH1A1MAPT
SCHEMBL19544636 0.69 KDM4E (0.39) RAB9AALDH1A1MAPT
SCHEMBL1429353 0.67 SMN1; SMN2 (0.56) MAPK1RAB9AALDH1A1MAPT
SCHEMBL12037308 0.63 CCNB2 (0.41) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL31553375 0.62 NOTUM (0.68) —
SCHEMBL19544616 0.61 ALPL (0.65) RAB9AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20170313683-A1 BTK INHIBITOR BTK, SYK, LYN KCNH2 3190/4885SLC6A3 2689/4885TAAR1 3157/4885

“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.

Send feedback