SCHEMBL3615876

SCHEMBL3615876

Cc1nnc(-c2cccc(-c3cc(-c4cc(C#N)c(N5CCNCC5)n4OC(=O)C(F)(F)F)ccn3)c2)o1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 4/20 0.34
FGFR3 P22607 3/20 0.33
ATR Q13535 2/20 0.33
OPRM1 P35372 1/20 0.33
SCN9A Q15858 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KDR P35968 2/20 0.32
CACNA2D1 P54289 2/20 0.32
BRD4 O60885 1/20 0.32
PIM1 P11309 1/20 0.31
CDK9 P50750 1/20 0.31
CCKBR P32239 1/20 0.31
BRAF P15056 1/20 0.31
HTR1A P08908 1/20 0.31
HTR7 P34969 1/20 0.31

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
SCHEMBL3610010 0.93 PIM1 (0.34) USP30ATRSCN9AALDH1A1PIM1
SCHEMBL3616680 0.87 SCN9A (0.37) USP30SCN9AALDH1A1PIM1CDK9
SCHEMBL3618818 0.84 NPC1 (0.38) ATRSCN9AALDH1A1PIM1CDK9
SCHEMBL3620396 0.83 PRKCQ (0.37) ATRSCN9AALDH1A1
SCHEMBL3620824 0.81 CDK9 (0.35) ALDH1A1PIM1CDK9
SCHEMBL3618308 0.81 PRKD1 (0.39) ALDH1A1PIM1CDK9
SCHEMBL3614596 0.80 IKBKB (0.36) ALDH1A1PIM1CDK9
Trifluoroacetic Acid SCHEMBL3615875 0.80 ATR (0.35) USP30FGFR3ATROPRM1SCN9A
SCHEMBL3609154 0.80 MKNK1 (0.38) ALDH1A1
SCHEMBL3619398 0.79 IRAK4 (0.36) ALDH1A1PIM1CDK9

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 USP30 4546/4885FGFR3 973/4885ATR 4510/4885

“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.