SCHEMBL21795779

SCHEMBL21795779

C=C(c1ccc(Br)nc1)C1CCN(CC)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DUSP3 P51452 4/20 0.38
PTPN5 P54829 4/20 0.38
PTPN11 Q06124 4/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CCNA1 P78396 1/20 0.36
ALDH1A1 P00352 4/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
HPGD P15428 3/20 0.35
MAPT P10636 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
KCNH2 Q12809 1/20 0.34
CACNA1I Q9P0X4 1/20 0.34

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
SCHEMBL21795769 0.84 SMN1; SMN2 (0.40) DUSP3PTPN5PTPN11CYP1A2CYP3A4
SCHEMBL22004077 0.84 KCNH2 (0.43) SMN1; SMN2MAPTKCNH2
SCHEMBL21795765 0.76 HRH3 (0.45) CYP2D6CHRNB2CHRNA4CHRM2CHRM1
SCHEMBL21795794 0.74 GPR119 (0.51) HPGDABL1
SCHEMBL21795773 0.73 DUSP3 (0.44) DUSP3PTPN5PTPN11CYP1A2CYP3A4
SCHEMBL18822846 0.69 HRH3 (0.56) CHRNB2CHRNA4HRH3
SCHEMBL20758197 0.69 CHRNB2 (0.56) CHRNB2CHRNA4
SCHEMBL23330163 0.68 CARM1 (0.48) HRH3CCR5
SCHEMBL21795793 0.68 SMN1; SMN2 (0.46) SMN1; SMN2MAPTKCNH2
SCHEMBL22736231 0.66 NPC1 (0.41) CYP2D6HRH3

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.