SCHEMBL693254

SCHEMBL693254

Cc1cc(N2CCc3ncccc3C2)nc(N2CCCC2)c1NC(=O)c1cccc(F)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
TP53 P04637 3/20 0.49
HDAC6 Q9UBN7 1/20 0.46
TSHR P16473 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MAPK1 P28482 2/20 0.41
KDR P35968 7/20 0.40
PDGFRB P09619 3/20 0.40
KCNQ2 O43526 1/20 0.40
KDM4E B2RXH2 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
USP2 O75604 1/20 0.38
PKM P14618 1/20 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
SCHEMBL30795574 1.00 MAPT (0.49) MAPTSMN1; SMN2TP53HDAC6TSHR
SCHEMBL693496 0.83 KCNQ2 (0.44) MAPTHDAC6KCNQ2
SCHEMBL30795656 0.83 KCNQ2 (0.44) MAPTHDAC6KCNQ2
SCHEMBL30794396 0.81 KCNQ2 (0.62) HDAC6KCNQ2
SCHEMBL694023 0.81 KCNQ2 (0.62) HDAC6KCNQ2
SCHEMBL30795847 0.79 PTGER4 (0.46) TP53HDAC6KCNQ2
SCHEMBL2680089 0.79 PTGER4 (0.46) TP53HDAC6KCNQ2
SCHEMBL2680430 0.77 PTGER4 (0.41) TP53HDAC6KCNQ2
SCHEMBL30796044 0.77 PTGER4 (0.41) TP53HDAC6KCNQ2
SCHEMBL2679534 0.76 GRM1 (0.51) HDAC6KDRPDGFRBKCNQ2

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-20120115900-A1 SUBSTITUTED NAPHTHYRIDINE DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2012-05-10 US claimed
WO-2024054807-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND TDP-43 MODULATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 WO disclosed
WO-2024050389-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND NMDA RECEPTOR ANTAGONISTS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-07 WO disclosed
US-20120115900-A1 SUBSTITUTED NAPHTHYRIDINE DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2012-05-10 US disclosed
US-20120115900-A1 SUBSTITUTED NAPHTHYRIDINE DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2012-05-10 US disclosed
US-20120115900-A1 SUBSTITUTED NAPHTHYRIDINE DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2012-05-10 US disclosed
EP-2421863-A1 SUBSTITUTED NAPHTHYRIDINE DERIVATIVES AND THEIR MEDICAL USE NeuroSearch AS (DK) 2012-02-29 EP disclosed
WO-2010122064-A1 SUBSTITUTED NAPHTHYRIDINE DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2010-10-28 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-20120115900-A1 SUBSTITUTED NAPHTHYRIDINE DERIVATIVES AND THEIR MEDICAL USE KCNQ1, KCNQ2, KCNQ5 MAPT 3190/4885SMN1; SMN2 3133/4885TP53 4524/4885

“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.