SCHEMBL2196963

SCHEMBL2196963

Cc1nc(C(N)=O)nc(C2CCCCC2)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.34
▸ SCN10A Q9Y5Y9 1/20 0.33
▸ HRH2 P25021 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ PTGS2 P35354 4/20 0.32
▸ MAPT P10636 3/20 0.32
▸ PTGS1 P23219 1/20 0.32
▸ KDM5B Q9UGL1 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ RECQL P46063 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ CD38 P28907 2/20 0.30
▸ LMNA P02545 1/20 0.30
▸ CDC7 O00311 1/20 0.30

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
SCHEMBL28976575 0.82 SCN10A (0.37) MAPK1SCN10A
SCHEMBL28456316 0.74 MAPK1 (0.43) MAPK1SMN1; SMN2KDM4EKMT2A
SCHEMBL4329258 0.69 MAPT (0.42) MAPK1SCN10APTGS2MAPTKDM4E
SCHEMBL3826979 0.68 PTGS2 (0.47) HRH2HRH3PTGS2MAPTPTGS1
SCHEMBL31475661 0.67 HRH2 (0.43) HRH2HRH3PTGS2PTGS1KDM5B
SCHEMBL29580982 0.67 PARP1 (0.43) PTGS2MAPTPTGS1KDM4EMEN1
SCHEMBL1088195 0.65 MAPK1 (0.48) MAPK1MAPTKDM4ERECQLTSHR
SCHEMBL3828944 0.65 ADCY1 (0.37) PTGS2PTGS1NPC1RAB9ASMN1; SMN2
SCHEMBL31517757 0.64 POLB (0.45) MAPK1KDM4EMEN1KMT2ALMNA
SCHEMBL19121329 0.64 TRPV1 (0.39) PTGS2MAPTPTGS1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2342191-B1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORP (JP) 2013-03-20 — — EP disclosed
EP-2342191-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE Mitsubishi Tanabe Pharma Corporation (JP) 2011-07-13 — — EP disclosed
US-20110166135-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-07-07 — — US disclosed
WO-2010030027-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-03-18 — — 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-20110166135-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE PDE10A, PDE3A, PDE3B MAPK1 1211/4885SCN10A 14/4885HRH2 547/4885

“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.

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