SCHEMBL21795773

SCHEMBL21795773

CCN1CCC(=C(C)c2ccc(Br)nc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DUSP3 P51452 5/20 0.44
PTPN5 P54829 4/20 0.44
PTPN11 Q06124 4/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
ALDH1A1 P00352 5/20 0.41
HPGD P15428 4/20 0.40
MAPT P10636 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.34
PTPN7 P35236 1/20 0.33
ATM Q13315 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33

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
SCHEMBL21795770 0.82 SMN1; SMN2 (0.40) DUSP3PTPN5PTPN11CYP1A2CYP3A4
SCHEMBL21795778 0.75 HRH3 (0.41) MAPT
SCHEMBL21795779 0.73 DUSP3 (0.38) DUSP3PTPN5PTPN11CYP1A2CYP3A4
SCHEMBL22004077 0.73 KCNH2 (0.43) MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL21795758 0.72 HRH3 (0.48)
SCHEMBL22003701 0.71 GRIN2B (0.48) ATM
SCHEMBL29351185 0.69 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2KMT2AMEN1ATM
SCHEMBL2490300 0.69 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2KMT2AMEN1ATM
SCHEMBL5257852 0.69 CHRNB2 (0.58) ALDH1A1MAPTSMN1; SMN2CHRNB2CHRNA4
SCHEMBL23207015 0.65 KMT2A (0.42) DUSP3PTPN5PTPN11CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11179391-B2 Compound with kinase inhibitory activity and preparation method and use thereof Zhang, Fuyao (CN) 2021-11-23 US disclosed
US-11179391-B2 Compound with kinase inhibitory activity and preparation method and use thereof Zhang, Fuyao (CN) 2021-11-23 US disclosed
EP-3620456-B1 COMPOUND WITH KINASE INHIBITORY ACTIVITY AND PREPARATION METHOD AND USE THEREOF ZHANG FUYAO (CN) 2021-11-17 EP disclosed
EP-3620456-B1 COMPOUND WITH KINASE INHIBITORY ACTIVITY AND PREPARATION METHOD AND USE THEREOF ZHANG FUYAO (CN) 2021-11-17 EP disclosed
CN-108794452-B Compound with kinase inhibition activity, preparation method and application thereof 上海时莱生物技术有限公司 2021-05-28 CN disclosed
US-20200155550-A1 COMPOUND WITH KINASE INHIBITORY ACTIVITY AND PREPARATION METHOD AND USE THEREOF SHANGHAI BEST-LINK BIOSCIENCE, LLC (CN) 2020-05-21 US disclosed
US-20200155550-A1 COMPOUND WITH KINASE INHIBITORY ACTIVITY AND PREPARATION METHOD AND USE THEREOF SHANGHAI BEST-LINK BIOSCIENCE, LLC (CN) 2020-05-21 US disclosed
EP-3620456-A1 COMPOUND WITH KINASE INHIBITORY ACTIVITY AND PREPARATION METHOD AND USE THEREOF Selection Bioscience LLC (CN) 2020-03-11 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-20200155550-A1 COMPOUND WITH KINASE INHIBITORY ACTIVITY AND PREPARATION METHOD AND USE THEREOF CDK9, CDK7, CDK6 DUSP3 250/4885PTPN5 1056/4885PTPN11 1311/4885
US-11179391-B2 Compound with kinase inhibitory activity and preparation method and use thereof CDK9, CDK7, CDK6 DUSP3 250/4885PTPN5 1056/4885PTPN11 1311/4885

“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.