SCHEMBL8320227

SCHEMBL8320227

COc1ccc(-c2cnc3[nH]cc(I)c3c2)cc1

nearest known ligand 0.77

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KIT P10721 9/20 0.67
DYRK1A Q13627 2/20 0.63
CCNT1 O60563 1/20 0.57
CCNA2 P20248 1/20 0.57
CDK2 P24941 1/20 0.57
CDK9 P50750 1/20 0.57
AAK1 Q2M2I8 2/20 0.55
MAP3K11 Q16584 1/20 0.55
PIK3CA P42336 1/20 0.52

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
SCHEMBL28504390 0.92 KIT (0.59) KITDYRK1ACCNT1CCNA2CDK2
SCHEMBL15833785 0.87 KIT (0.81) KITDYRK1ACCNT1CCNA2CDK2
SCHEMBL15779335 0.84 MAP3K11 (0.62) KITDYRK1AAAK1MAP3K11PIK3CA
SCHEMBL4337311 0.83 KIT (0.78) KITDYRK1AAAK1PIK3CA
SCHEMBL13745948 0.82 AXL (0.76) KITDYRK1AAAK1
SCHEMBL1886563 0.82 MTNR1A (0.50) KITDYRK1A
SCHEMBL29923791 0.82 MTNR1A (0.50) KITDYRK1A
SCHEMBL8941722 0.81 KIT (0.74) KITDYRK1ACCNT1CCNA2CDK2
SCHEMBL8313442 0.81 KIT (0.72) KITDYRK1ACCNT1CCNA2CDK2
SCHEMBL12829259 0.81 NTRK1 (0.66) KITDYRK1AMAP3K11PIK3CA

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-20090215771-A1 JNK INHIBITORS GRACZYK PIOTR 2009-08-27 US disclosed
US-20090215771-A1 JNK INHIBITORS GRACZYK PIOTR 2009-08-27 US disclosed
US-7432375-B2 JNK inhibitors EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-10-07 US disclosed
US-7432375-B2 JNK inhibitors EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-10-07 US disclosed
WO-2004078756-A2 JNK INHIBITORS EISAI CO., LTD. (JP) 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 (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-20090215771-A1 JNK INHIBITORS MAPKAPK2, MAPK1, MAPKAPK3 KIT 3148/4885DYRK1A 1619/4885CCNT1 1186/4885

“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.