SCHEMBL4813385

SCHEMBL4813385

O=Cc1ccc2c(c1)Cc1c(I)n[nH]c1-2

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 9/20 0.40
KDR P35968 3/20 0.35
PDGFRB P09619 3/20 0.35
CYP2A6 P11509 1/20 0.34
KCNJ1 P48048 1/20 0.33
CDK1 P06493 1/20 0.33
CDK2 P24941 1/20 0.33
ALDH1A3 P47895 1/20 0.32
EIF2AK1 Q9BQI3 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
SCHEMBL4814005 0.91 KCNJ1 (0.36) CHEK1KDRPDGFRBCYP2A6KCNJ1
SCHEMBL4809861 0.76 CHEK1 (0.52) CHEK1
SCHEMBL14279024 0.74 CHEK1 (0.46) CHEK1KDREIF2AK1
SCHEMBL4813035 0.72 CHEK1 (0.41) CHEK1KDRPDGFRBEIF2AK1
SCHEMBL4807713 0.72 LTK (0.54) CHEK1KDR
SCHEMBL4815002 0.71 CHEK1 (0.46) CHEK1KDRPDGFRBEIF2AK1
SCHEMBL4811938 0.70 CHEK1 (0.51) CHEK1KDRPDGFRB
SCHEMBL6014179 0.70 ALDH1A1 (0.43) CYP2A6KCNJ1ALDH1A3
SCHEMBL31689734 0.70 ALDH1A1 (0.43) CYP2A6KCNJ1ALDH1A3
SCHEMBL4813291 0.70 CHEK1 (0.52) CHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1740579-B1 TRICYCLIC PYRAZOLE KINASE INHIBITORS ABBVIE INC (US) 2015-08-19 EP disclosed
US-7468371-B2 Tricyclic pyrazole kinase inhibitors ABBOTT LABORATORIES INC. (US) 2008-12-23 US disclosed
US-7320986-B2 Fused tri and tetra-cyclic pyrazole kinase inhibitors ABBOTT LABORTORIES (US) 2008-01-22 US disclosed
US-7320986-B2 Fused tri and tetra-cyclic pyrazole kinase inhibitors ABBOTT LABORTORIES (US) 2008-01-22 US disclosed
US-7320986-B2 Fused tri and tetra-cyclic pyrazole kinase inhibitors ABBOTT LABORTORIES (US) 2008-01-22 US disclosed
US-20060014816-A1 Tricyclic pyrazole kinase inhibitors ABBVIE INC. 2006-01-19 US disclosed
EP-1603885-A1 FUSED TRI AND TETRA-CYCLIC PYRAZOLE KINASE INHIBITORS Abbott Laboratories (US) 2005-12-14 EP disclosed
US-20040259904-A1 Fused tri and tetra-cyclic pyrazole kinase inhibitors ABBVIE INC. 2004-12-23 US disclosed
WO-2004080973-A1 FUSED TRI AND TETRA-CYCLIC PYRAZOLE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2004-09-23 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-20060014816-A1 Tricyclic pyrazole kinase inhibitors PRKDC, PRKACA, PIK3C3 CHEK1 79/4885KDR 666/4885PDGFRB 495/4885
US-20040259904-A1 Fused tri and tetra-cyclic pyrazole kinase inhibitors TK1, MAP3K19, MAP3K20 CHEK1 73/4885KDR 1024/4885PDGFRB 871/4885

“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.