SCHEMBL6034750

SCHEMBL6034750

NCCCNc1nc2nnccc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 2/20 0.41
▸ BCHE P06276 1/20 0.38
▸ TRPC3 Q13507 1/20 0.38
▸ TRPC4 Q9UBN4 1/20 0.38
▸ TRPC5 Q9UL62 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.38
▸ CHEK1 O14757 1/20 0.36
▸ CHEK2 O96017 1/20 0.36
▸ TSHR P16473 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.33
▸ RIPK1 Q13546 2/20 0.32
▸ CCNT1 O60563 1/20 0.32
▸ CDK9 P50750 1/20 0.32
▸ HSP90AA1 P07900 1/20 0.32
▸ HSP90AB1 P08238 1/20 0.32
▸ XDH P47989 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ STK17A Q9UEE5 1/20 0.32

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
Trifluoroacetic Acid SCHEMBL5379943 0.88 HRH4 (0.44) PIM1BCHETRPC3TRPC4TRPC5
SCHEMBL5385517 0.79 NUDT1 (0.49) PIM1BCHETRPC3TRPC4TRPC5
SCHEMBL5382890 0.73 BCHE (0.48) PIM1BCHETRPC3TRPC4TRPC5
SCHEMBL5389979 0.73 BCHE (0.55) PIM1BCHETDP1STK17A
SCHEMBL5388762 0.72 PIM1 (0.45) PIM1HRH3CHEK1CHEK2HSP90AA1
SCHEMBL6034415 0.71 BCHE (0.72) BCHETRPC3TRPC4TRPC5TSHR
SCHEMBL5394585 0.71 CHEK1 (0.50) PIM1BCHETRPC3TRPC4TRPC5
Hydrochloric Acid SCHEMBL5373989 0.70 SLC2A1 (0.38) BCHETRPC3TRPC4TRPC5
SCHEMBL4640893 0.67 BCHE (0.70) BCHETRPC3TRPC4TRPC5TSHR
SCHEMBL13804704 0.67 PIM1 (0.43) PIM1BCHETRPC3TRPC4TRPC5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060128735-A1 Substituted thiophenes with antibacterial activity REPLIDYNE, INC. (US) 2006-06-15 — — US disclosed
US-7030137-B2 Substituted thiophenes with antibacterial activity REPLIDYNE, INC. (US) 2006-04-18 — — US disclosed
EP-1603881-A2 SUBSTITUTED THIOPHENES WITH ANTIBACTERIAL ACTIVITY Replidyne, Inc. (US) 2005-12-14 — — EP disclosed
US-20050009833-A1 Substituted thiophenes with antibacterial activity REPLIDYNE, INC. 2005-01-13 — — US disclosed
WO-2004078119-A2 SUBSTITUTED THIOPHENES WITH ANTIBACTERIAL ACTIVITY REPLIDYNE INC. (US) 2004-09-16 — — 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 (2 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-20050009833-A1 Substituted thiophenes with antibacterial activity TST, MTR, NSUN3 PIM1 2474/4885BCHE 1197/4885TRPC3 3505/4885
US-20060128735-A1 Substituted thiophenes with antibacterial activity TST, MTR, NSUN3 PIM1 2474/4885BCHE 1197/4885TRPC3 3505/4885

“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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