SCHEMBL17833787

SCHEMBL17833787

Cc1ccc(-c2ccnc3ccc(Br)cc23)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.48
SLC22A12 Q96S37 5/20 0.46
AURKA O14965 1/20 0.42
KDR P35968 1/20 0.42
AURKB Q96GD4 1/20 0.42
NCF1 P14598 1/20 0.41
MAPK1 P28482 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPKAPK2 P49137 2/20 0.41
CCNB2 O95067 1/20 0.41
CDK1 P06493 1/20 0.41
CCNB1 P14635 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41

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
SCHEMBL28175732 0.86 PIK3CA (0.53) PIK3CASLC22A12ALDH1A1MAPTNPSR1
SCHEMBL28140817 0.84 ALK (0.49) PIK3CASLC22A12NCF1ALDH1A1MAPT
SCHEMBL30440259 0.83 PIK3CA (0.62) PIK3CASLC22A12AURKAKDRAURKB
SCHEMBL12277881 0.83 PIK3CA (0.62) PIK3CASLC22A12AURKAKDRAURKB
SCHEMBL731933 0.83 PIK3CA (0.62) PIK3CASLC22A12NCF1HTTSMN1; SMN2
SCHEMBL21964214 0.78 PIK3CA (0.43) PIK3CASLC22A12NCF1MAPTHTT
SCHEMBL17833790 0.78 PIK3CA (0.46) PIK3CASLC22A12MAPK1ALDH1A1MAPT
SCHEMBL17060466 0.78 MAPT (0.53) SLC22A12AURKAAURKBMAPK1ALDH1A1
SCHEMBL28295739 0.77 PIK3CA (0.48) PIK3CAALDH1A1MAPTNPSR1CCNB2
SCHEMBL3849357 0.77 RPS6KA3 (0.44) PIK3CASLC22A12HTTGAKEPHB6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160168118-A1 N-(5-QUINOLIN-6-YL)PYRIDIN-3-YL) BENZSULFAMIDE DERIVATIVES, PREPARATION METHOD AND THERAPEUTIC USE THEREOF SECOND MILITARY MEDICAL UNIVERSITY, PLA (CN) 2016-06-16 US disclosed
US-20160168118-A1 N-(5-QUINOLIN-6-YL)PYRIDIN-3-YL) BENZSULFAMIDE DERIVATIVES, PREPARATION METHOD AND THERAPEUTIC USE THEREOF SECOND MILITARY MEDICAL UNIVERSITY, PLA (CN) 2016-06-16 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-20160168118-A1 N-(5-QUINOLIN-6-YL)PYRIDIN-3-YL) BENZSULFAMIDE DERIVATIVES, PREPARATION METHOD AND THERAPEUTIC USE THEREOF GLS2, CYP3A5, HCCS PIK3CA 532/4885SLC22A12 3126/4885AURKA 509/4885

“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.