SCHEMBL7934262

SCHEMBL7934262

COc1ccc(CN)cc1I

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.48
▸ ATM Q13315 1/20 0.48
▸ GAA P10253 1/20 0.46
▸ CA2 P00918 1/20 0.45
▸ TSHR P16473 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ CSNK2A1 P68400 4/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ APEX1 P27695 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ LOX P28300 1/20 0.43
▸ LOXL2 Q9Y4K0 1/20 0.43
▸ TAAR1 Q96RJ0 2/20 0.42
▸ CYP19A1 P11511 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ TAAR5 O14804 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41

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
SCHEMBL17913155 0.84 KDM4E (0.48) KDM4EATMGAACA2TSHR
SCHEMBL3551556 0.82 CA2 (0.47) KDM4EATMGAACA2CYP1A2
SCHEMBL29535675 0.81 ATM (0.70) KDM4EATMGAACA2TSHR
SCHEMBL44393 0.81 ATM (0.70) KDM4EATMGAACA2TSHR
SCHEMBL19409880 0.81 ATM (0.70) KDM4EATMGAACA2TSHR
SCHEMBL2723044 0.80 CA2 (0.45) KDM4EATMGAACA2TSHR
Hydrochloric Acid SCHEMBL9726669 0.79 ATM (0.68) KDM4EATMCA2CYP1A2CYP3A4
SCHEMBL14268141 0.78 GABRA1 (0.48) KDM4EATMCA2TSHRCYP1A2
SCHEMBL1725006 0.78 GAA (0.74) KDM4EATMGAACA2TSHR
SCHEMBL702173 0.78 CRHBP (0.50) KDM4EATMGAACA2TSHR

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
US-9556180-B2 Pyrazolo[3,4-d]pyrimidinone compounds as inhibitors of the P53/MDM2 interaction NOVARTIS AG (CH) 2017-01-31 — — US disclosed
US-8765727-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-07-01 — — US disclosed
US-8569336-B2 Compounds for the treatment of inflammatory disorders TONG LING (US) 2013-10-29 — — US disclosed
US-8569336-B2 Compounds for the treatment of inflammatory disorders TONG LING (US) 2013-10-29 — — US disclosed
US-20120015926-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TONG LING (US) 2012-01-19 — — US disclosed
US-20120015926-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TONG LING (US) 2012-01-19 — — US disclosed
US-20110251215-A9 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2011-10-13 — — US disclosed
US-20100190804-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2010-07-29 — — US disclosed
WO-2010054278-A2 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION (US) 2010-05-14 — — 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 (3 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-20110251215-A9 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS JAK2, JAK1, ALK KDM4E 248/4885ATM 224/4885GAA 2377/4885
US-20120015926-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, ADAMTS1, ADAMTS7 KDM4E 4592/4885ATM 2397/4885GAA 61/4885
US-20100190804-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS JAK2, JAK1, ALK KDM4E 248/4885ATM 224/4885GAA 2377/4885

“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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