SCHEMBL3620396

SCHEMBL3620396

N#Cc1cc(-c2ccnc(-c3cccc(C(=O)N4CCCC4)c3)c2)n(OC(=O)C(F)(F)F)c1N1CCNCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 1/20 0.37
PRKCD Q05655 1/20 0.37
PDE4D Q08499 1/20 0.37
ABL1 P00519 2/20 0.36
BCR P11274 2/20 0.36
HPGD P15428 3/20 0.36
MEN1 O00255 2/20 0.36
NPC1 O15118 2/20 0.36
ALDH1A1 P00352 2/20 0.36
RAB9A P51151 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
SCN9A Q15858 1/20 0.36
ATR Q13535 1/20 0.36
MAPK1 P28482 1/20 0.36
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
TGFBR1 P36897 1/20 0.36
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 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
SCHEMBL3620666 0.93 CCNC (0.42) ABL1BCRCCNCCDK8TGFBR1
SCHEMBL3616680 0.90 SCN9A (0.37) ABL1ALDH1A1SCN9A
SCHEMBL3614882 0.88 RXFP1 (0.33) MEN1ALDH1A1KMT2AMAPK1CCNC
SCHEMBL3618587 0.88 FASN (0.35) HPGDALDH1A1CCNCCDK8TGFBR1
SCHEMBL3618818 0.85 NPC1 (0.38) ABL1BCRNPC1ALDH1A1RAB9A
SCHEMBL3619398 0.85 IRAK4 (0.36) ALDH1A1
SCHEMBL3618177 0.84 IRAK4 (0.36) ALDH1A1
SCHEMBL3624429 0.84 IRAK4 (0.36) ALDH1A1
SCHEMBL3615876 0.83 USP30 (0.34) ALDH1A1SCN9AATR
SCHEMBL3618308 0.83 PRKD1 (0.39) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100105664-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-04-29 US claimed
EP-2069333-A1 PYRROLE DERIVATIVES USEFUL FOR THE TREATMENT OF CYTOKINE-MEDIATED DISEASES Novartis Ag (CH) 2009-06-17 EP claimed
WO-2008034600-A1 PYRROLE DERIVATIVES USEFUL FOR THE TREATMENT OF CYTOKINE-MEDIATED DISEASES NOVARTIS AG (CH) 2008-03-27 WO claimed
US-20100105664-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-04-29 US disclosed
EP-2069333-A1 PYRROLE DERIVATIVES USEFUL FOR THE TREATMENT OF CYTOKINE-MEDIATED DISEASES Novartis Ag (CH) 2009-06-17 EP disclosed
WO-2008034600-A1 PYRROLE DERIVATIVES USEFUL FOR THE TREATMENT OF CYTOKINE-MEDIATED DISEASES NOVARTIS AG (CH) 2008-03-27 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 (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-20100105664-A1 ORGANIC COMPOUNDS SLCO1B3, SLCO1B1, SLC10A6 PRKCQ 4312/4885PRKCD 3698/4885PDE4D 1312/4885

“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.