SCHEMBL6785580

SCHEMBL6785580

CCCC[Sn](CCCC)(CCCC)Cc1ccc(C#N)cc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.52
TSHR P16473 1/20 0.51
HSD17B10 Q99714 1/20 0.51
LOXL2 Q9Y4K0 2/20 0.44
CYP19A1 P11511 5/20 0.40
MGLL Q99685 2/20 0.38
ALDH1A1 P00352 1/20 0.38
KCNJ1 P48048 1/20 0.36
KCNH2 Q12809 1/20 0.36
IDO1 P14902 2/20 0.35
RAB9A P51151 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35

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
SCHEMBL6790593 0.80 GLA (0.43) CYP19A1HRH3
SCHEMBL9157917 0.77 HPGD (0.40) CYP2A6ALDH1A1KCNH2IDO1
SCHEMBL6781894 0.76 SMN1; SMN2 (0.46) ALDH1A1KCNH2IDO1
SCHEMBL1350580 0.75 DNM1 (0.44) KCNH2
SCHEMBL3753968 0.75 HSD17B10 (0.76) CYP2A6TSHRHSD17B10LOXL2CYP19A1
SCHEMBL1453582 0.74 TSHR (0.46) CYP2A6TSHRHSD17B10LOXL2CYP19A1
SCHEMBL20915394 0.74 CA2 (0.46)
SCHEMBL10568033 0.73 HSD17B10 (0.79) CYP2A6TSHRHSD17B10LOXL2CYP19A1
SCHEMBL2997975 0.73 HSD17B10 (0.86) CYP2A6TSHRHSD17B10LOXL2CYP19A1
SCHEMBL10567414 0.73 HSD17B10 (0.86) CYP2A6TSHRHSD17B10LOXL2CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6686373-B2 ANALGESICS; ANTIINFLAMMATORY AGENT WARNER-LAMBERT COMPANY LLC 2004-02-03 US disclosed
US-20030130277-A1 Pyrazoloquinolinone derivatives as protein kinase C inhibitors KAWAMURA KIYOSHI (JP) 2003-07-10 US disclosed
EP-1310498-A2 Pyrazoloquinolinone derivatives as protein kinase C inhibitors PFIZER INC. (US) 2003-05-14 EP 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-20030130277-A1 Pyrazoloquinolinone derivatives as protein kinase C inhibitors PRKCB, PRKCA, PRKCG CYP2A6 3310/4885TSHR 3713/4885HSD17B10 3513/4885

“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.