SCHEMBL17833790

SCHEMBL17833790

CCN(CC)Cc1ccc(-c2ccnc3ccc(Br)cc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 6/20 0.46
HRH3 Q9Y5N1 1/20 0.45
ALDH1A1 P00352 3/20 0.43
HTT P42858 3/20 0.43
LMNA P02545 2/20 0.41
PIK3CD O00329 1/20 0.41
PIK3R1 P27986 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 1/20 0.41
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PYCR1 P32322 1/20 0.40
SLC22A12 Q96S37 1/20 0.39
CCNC P24863 2/20 0.38
CDK8 P49336 2/20 0.38

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
SCHEMBL17833787 0.78 PIK3CA (0.48) PIK3CAALDH1A1HTTSMN1; SMN2MAPT
SCHEMBL28140817 0.75 ALK (0.49) PIK3CAALDH1A1HTTLMNAMEN1
SCHEMBL12277881 0.74 PIK3CA (0.62) PIK3CAALDH1A1HTTLMNASMN1; SMN2
SCHEMBL731933 0.74 PIK3CA (0.62) PIK3CAHTTPIK3CDSMN1; SMN2SLC22A12
SCHEMBL30440259 0.74 PIK3CA (0.62) PIK3CAALDH1A1HTTLMNASMN1; SMN2
SCHEMBL21964214 0.72 PIK3CA (0.43) PIK3CAHTTLMNAMAPTSLC22A12
SCHEMBL17060466 0.72 MAPT (0.53) ALDH1A1HTTSMN1; SMN2KDM4EMAPT
SCHEMBL4792356 0.71 NEK1 (0.60) HRH3CDK8
SCHEMBL5499754 0.70 HTT (0.60) HRH3ALDH1A1HTTLMNAPIK3CD
SCHEMBL69821 0.70 PYCR1 (0.69) HRH3ALDH1A1KDM4EPYCR1CCR5

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 532/4885HRH3 1811/4885ALDH1A1 837/4885

“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.