SCHEMBL2226570

SCHEMBL2226570

O=C(Nc1ccc(I)cc1)c1ccc(Cl)cc1Cl

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.68
▸ JAK1 P23458 1/20 0.68
▸ TYK2 P29597 1/20 0.68
▸ GPR27 Q9NS67 4/20 0.65
▸ AVPR2 P30518 2/20 0.65
▸ MEN1 O00255 5/20 0.63
▸ KMT2A Q03164 5/20 0.63
▸ MAPT P10636 3/20 0.63
▸ CYP2C19 P33261 1/20 0.63
▸ RAB9A P51151 4/20 0.62
▸ NPC1 O15118 3/20 0.62
▸ GAA P10253 2/20 0.62
▸ KDM4E B2RXH2 2/20 0.62
▸ ATM Q13315 1/20 0.62
▸ APOBEC3A P31941 1/20 0.62
▸ APOBEC3G Q9HC16 1/20 0.62
▸ GRIK1 P39086 1/20 0.57
▸ NR1H4 Q96RI1 1/20 0.57
▸ PYGL P06737 1/20 0.56

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
SCHEMBL14228391 0.85 JAK2 (0.69) JAK2JAK1TYK2GPR27AVPR2
SCHEMBL2681276 0.84 RAB9A (0.69) JAK2JAK1TYK2GPR27AVPR2
SCHEMBL678770 0.84 JAK2 (0.68) JAK2JAK1TYK2GPR27AVPR2
SCHEMBL1753321 0.84 JAK2 (0.68) JAK2JAK1TYK2GPR27AVPR2
SCHEMBL2227567 0.83 MEN1 (0.76) JAK2JAK1TYK2GPR27AVPR2
SCHEMBL17845883 0.83 P2RX1 (0.82) MEN1KMT2A
SCHEMBL7330825 0.83 JAK2 (0.66) JAK2JAK1TYK2GPR27AVPR2
SCHEMBL4253890 0.82 MEN1 (0.68) JAK2JAK1TYK2GPR27AVPR2
SCHEMBL24238348 0.81 GRIK1 (0.50) JAK2JAK1TYK2GPR27AVPR2
SCHEMBL7341264 0.81 TSHR (0.68) JAK2JAK1TYK2GPR27AVPR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130005759-A1 SMALL MOLECULE MODIFIERS OF MICRORNA MIR-122 NORTH CAROLINA STATE UNIVERSITY 2013-01-03 — — US claimed
WO-2011091209-A1 SMALL MOLECULE MODIFIERS OF MICRORNA MIR-122 NORTH CAROLINA STATE UNIVERSITY (US) 2011-07-28 — — WO claimed
US-20140213632-A1 HCV Combination Therapy STELLA APS (DK) 2014-07-31 — — US disclosed
US-20140127159-A1 HCV Combination Therapy STELLA APS (DK) 2014-05-08 — — US disclosed
US-20130005759-A1 SMALL MOLECULE MODIFIERS OF MICRORNA MIR-122 NORTH CAROLINA STATE UNIVERSITY 2013-01-03 — — US disclosed
US-20130005759-A1 SMALL MOLECULE MODIFIERS OF MICRORNA MIR-122 NORTH CAROLINA STATE UNIVERSITY 2013-01-03 — — US disclosed
WO-2011091209-A1 SMALL MOLECULE MODIFIERS OF MICRORNA MIR-122 NORTH CAROLINA STATE UNIVERSITY (US) 2011-07-28 — — WO disclosed
WO-2011091209-A1 SMALL MOLECULE MODIFIERS OF MICRORNA MIR-122 NORTH CAROLINA STATE UNIVERSITY (US) 2011-07-28 — — 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-20140127159-A1 HCV Combination Therapy HAVCR2, EIF2AK2, TIMP3 JAK2 105/4885JAK1 502/4885TYK2 3805/4885
US-20140213632-A1 HCV Combination Therapy HAVCR2, EIF2AK2, ZC3HAV1 JAK2 93/4885JAK1 473/4885TYK2 3108/4885
US-20130005759-A1 SMALL MOLECULE MODIFIERS OF MICRORNA MIR-122 HAVCR2, CCAR2, EIF2AK2 JAK2 1847/4885JAK1 2719/4885TYK2 3743/4885

“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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