SCHEMBL5438992

SCHEMBL5438992

COC(=O)C(C)CC(C#N)(c1ccccn1)c1ccccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ TSHR P16473 2/20 0.38
▸ SLC22A2 O15244 1/20 0.38
▸ SLC22A1 O15245 1/20 0.38
▸ PGR P06401 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ ADRB3 P13945 1/20 0.38
▸ OPRK1 P41145 1/20 0.38
▸ BLM P54132 1/20 0.38
▸ PMP22 Q01453 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ PDE3A Q14432 1/20 0.38
▸ SLC47A1 Q96FL8 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ PKM P14618 1/20 0.36

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
SCHEMBL5439682 0.76 ALDH1A1 (0.44) SMN1; SMN2MEN1GAAKMT2ATSHR
SCHEMBL11759149 0.72 KIF11 (0.41) SMN1; SMN2MEN1KMT2AALOX15TDP1
SCHEMBL4463910 0.68 ALDH1A1 (0.44) SMN1; SMN2MEN1GAAKMT2ATSHR
SCHEMBL8891230 0.68 SMN1; SMN2 (0.43) SMN1; SMN2MEN1GAAKMT2ATSHR
SCHEMBL25435831 0.68 SMN1; SMN2 (0.42) SMN1; SMN2MEN1GAAKMT2ATSHR
SCHEMBL25639997 0.68 SMN1; SMN2 (0.49) SMN1; SMN2TSHRCYP3A4PKMMAPT
SCHEMBL9397304 0.68 CYP2D6 (0.44) TSHRSLC22A2SLC22A1PGRTHRB
SCHEMBL7418624 0.67 HPGD (0.57) SMN1; SMN2MEN1KMT2ATSHRALOX15
SCHEMBL31585050 0.67 SMN1; SMN2 (0.41) SMN1; SMN2MEN1GAAKMT2ABLM
SCHEMBL9978276 0.67 PLCG1 (0.46) SMN1; SMN2MEN1GAAKMT2ATSHR

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-20070027205-A1 Diarylmethyl derivatives as potassium channel modulators NEUROSEARCH A/S (DK) 2007-02-01 — — US claimed
EP-1644332-A1 DIARYLMETHYL DERIVATIVES AS POTASSIUM CHANNEL MODULATORS Poseidon Pharmaceuticals A/S (DK) 2006-04-12 — — EP claimed
WO-2005003094-A1 DIARYLMETHYL DERIVATIVES AS POTASSIUM CHANNEL MODULATORS POSEIDON PHARMACEUTICALS A/S (DK) 2005-01-13 — — WO claimed
US-20070027205-A1 Diarylmethyl derivatives as potassium channel modulators NEUROSEARCH A/S (DK) 2007-02-01 — — US disclosed
EP-1644332-A1 DIARYLMETHYL DERIVATIVES AS POTASSIUM CHANNEL MODULATORS Poseidon Pharmaceuticals A/S (DK) 2006-04-12 — — EP disclosed
WO-2005003094-A1 DIARYLMETHYL DERIVATIVES AS POTASSIUM CHANNEL MODULATORS POSEIDON PHARMACEUTICALS A/S (DK) 2005-01-13 — — 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-20070027205-A1 Diarylmethyl derivatives as potassium channel modulators KCNC1, KCNN3, KCNA1 SMN1; SMN2 3863/4885MEN1 3360/4885GAA 4377/4885

“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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