SCHEMBL18024850

SCHEMBL18024850

c1n[nH]cc1-c1nnc(-c2cn[nH]c2)nn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKT2 P31751 6/20 0.52
▸ AKT1 P31749 1/20 0.52
▸ KCNH2 Q12809 1/20 0.42
▸ LMNA P02545 1/20 0.40
▸ APEX1 P27695 1/20 0.40
▸ PMP22 Q01453 1/20 0.40
▸ CHEK1 O14757 1/20 0.38
▸ CHEK2 O96017 1/20 0.38
▸ ABL1 P00519 1/20 0.38
▸ ILK Q13418 1/20 0.37
▸ MAPK1 P28482 1/20 0.36
▸ AURKA O14965 1/20 0.36
▸ AURKB Q96GD4 1/20 0.36
▸ INCENP Q9NQS7 1/20 0.36
▸ TPX2 Q9ULW0 1/20 0.36
▸ PIM1 P11309 2/20 0.35
▸ PIM3 Q86V86 2/20 0.35
▸ PIM2 Q9P1W9 2/20 0.35
▸ ROCK2 O75116 1/20 0.35
▸ LRRK2 Q5S007 1/20 0.33

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
SCHEMBL3740850 0.82 AKT2 (0.70) AKT2AKT1KCNH2LMNAAPEX1
Hydrochloric Acid SCHEMBL28973063 0.79 AKT2 (0.67) AKT2AKT1KCNH2LMNAAPEX1
SCHEMBL17791789 0.78 AKT1 (0.35) AKT2AKT1
SCHEMBL3419294 0.77 AKT2 (0.52) AKT2AKT1KCNH2CHEK1CHEK2
SCHEMBL29533228 0.74 AKT2 (0.61) AKT2AKT1KCNH2LMNAAPEX1
SCHEMBL15689115 0.74 AKT2 (0.76) AKT2AKT1ILKPIM1PIM3
SCHEMBL16432987 0.74 AKT2 (0.76) AKT2AKT1ILKPIM1PIM3
SCHEMBL30423874 0.74 AKT2 (0.48) AKT2AKT1KCNH2LMNAAPEX1
SCHEMBL31087019 0.74 AKT2 (0.43) AKT2AKT1KCNH2LMNAAPEX1
SCHEMBL30792042 0.74 AKT2 (0.43) AKT2AKT1KCNH2LMNAAPEX1

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
EP-2709666-B1 BIO-ORTHOGONAL DRUG ACTIVATION KONINKLIJKE PHILIPS NV (NL) 2021-07-14 — — EP disclosed
US-20170143840-A1 BIO-ORTHOGONAL DRUG ACTIVATION TAGWORKS PHARMACEUTICALS B.V. (NL) 2017-05-25 — — US disclosed
US-20170143840-A1 BIO-ORTHOGONAL DRUG ACTIVATION TAGWORKS PHARMACEUTICALS B.V. (NL) 2017-05-25 — — US disclosed
US-9421274-B2 Bio-orthogonal drug activation KONINKLIJKE PHILIPS N.V. (NL) 2016-08-23 — — US disclosed
US-9421274-B2 Bio-orthogonal drug activation KONINKLIJKE PHILIPS N.V. (NL) 2016-08-23 — — US 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-20170143840-A1 BIO-ORTHOGONAL DRUG ACTIVATION JMJD7, KIT, PAICS AKT2 499/4885AKT1 492/4885KCNH2 3543/4885

“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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