SCHEMBL16595151

SCHEMBL16595151

C=CC(=O)N[C@H]1CC[C@@H](Nc2nc(Cl)nc3sccc23)CC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 1/20 0.40
TEAD1 P28347 2/20 0.39
BTK Q06187 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.38
PDE7A Q13946 1/20 0.38
PDE7B Q9NP56 1/20 0.38
MAPK3 P27361 6/20 0.38
BRD4 O60885 2/20 0.38
SMYD3 Q9H7B4 1/20 0.36
MALT1 Q9UDY8 1/20 0.36
MAPK1 P28482 2/20 0.36
ADORA3 P0DMS8 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
JAK3 P52333 2/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL17969678 1.00 CSNK2A1 (0.40) CSNK2A1TEAD1BTKIRAK4PDE7A
SCHEMBL17937489 0.86 CSNK2A1 (0.46) CSNK2A1IRAK4PDE7APDE7BBRD4
SCHEMBL16595166 0.82 IRAK4 (0.46) CSNK2A1IRAK4
SCHEMBL17937488 0.82 IRAK4 (0.46) CSNK2A1IRAK4
SCHEMBL16595369 0.80 BTK (0.44) CSNK2A1BTKIRAK4PDE7APDE7B
SCHEMBL17937467 0.78 JAK3 (0.49) BTKIRAK4BRD4JAK3
SCHEMBL16595362 0.78 JAK3 (0.49) BTKIRAK4BRD4JAK3
SCHEMBL17937465 0.73 IRAK4 (0.42) TEAD1BTKIRAK4MAPK3SMYD3
SCHEMBL16595542 0.73 JAK3 (0.44) TEAD1BTKIRAK4MAPK3SMYD3
SCHEMBL16595154 0.73 IRAK4 (0.42) TEAD1BTKIRAK4MAPK3SMYD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10273242-B2 Compound inhibiting activities of BTK and/or JAK3 kinases Beijing Hanmi Pharmaceutical Co., Ltd. (CN) 2019-04-30 US disclosed
US-10273242-B2 Compound inhibiting activities of BTK and/or JAK3 kinases Beijing Hanmi Pharmaceutical Co., Ltd. (CN) 2019-04-30 US disclosed
US-20180051036-A1 COMPOUND INHIBITING ACTIVITIES OF BTK AND/OR JAK3 KINASES Beijing Hanmi Pharmaceutical Co., Ltd. (CN) 2018-02-22 US disclosed
US-20180051036-A1 COMPOUND INHIBITING ACTIVITIES OF BTK AND/OR JAK3 KINASES Beijing Hanmi Pharmaceutical Co., Ltd. (CN) 2018-02-22 US disclosed
US-9840517-B2 Compound inhibiting activities of BTK and/or JAK3 kinases Beijing Hanmi Pharmaceutical Co., Ltd. (CN) 2017-12-12 US disclosed
US-9840517-B2 Compound inhibiting activities of BTK and/or JAK3 kinases Beijing Hanmi Pharmaceutical Co., Ltd. (CN) 2017-12-12 US disclosed
US-20160229865-A1 COMPOUND INHIBITING ACTIVITIES OF BTK AND/OR JAK3 KINASES Beijing Hanmi Pharmaceutical Co., Ltd. (CN) 2016-08-11 US disclosed
US-20160229865-A1 COMPOUND INHIBITING ACTIVITIES OF BTK AND/OR JAK3 KINASES Beijing Hanmi Pharmaceutical Co., Ltd. (CN) 2016-08-11 US disclosed
EP-3048105-A1 COMPOUND INHIBITING ACTIVITIES OF BTK AND/OR JAK3 KINASES Beijing Hanmi Pharmaceutical Co., Ltd. (CN) 2016-07-27 EP disclosed
WO-2015039612-A1 COMPOUND INHIBITING KINASE ACTIVITIES OF BTK AND/OR JAK3 北京韩美药品有限公司 2015-03-26 WO 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 (3 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-20180051036-A1 COMPOUND INHIBITING ACTIVITIES OF BTK AND/OR JAK3 KINASES BTK, JAK3, JAK2 CSNK2A1 185/4885TEAD1 2883/4885BTK 1/4885
US-20160229865-A1 COMPOUND INHIBITING ACTIVITIES OF BTK AND/OR JAK3 KINASES BTK, JAK3, JAK2 CSNK2A1 185/4885TEAD1 2883/4885BTK 1/4885
US-10273242-B2 Compound inhibiting activities of BTK and/or JAK3 kinases BTK, JAK3, JAK2 CSNK2A1 185/4885TEAD1 2883/4885BTK 1/4885

“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.