SCHEMBL1662422

SCHEMBL1662422

O=c1cc(Cc2c(F)cccc2Cl)[nH]c2n[nH]c(C3=CC=C3)c12

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DAO P14920 3/20 0.48
AKR1B1 P15121 1/20 0.38
LMNA P02545 1/20 0.36
LCK P06239 5/20 0.34
BTK Q06187 5/20 0.34
MAPK14 Q16539 4/20 0.33
TP53 P04637 2/20 0.33
P2RX7 Q99572 1/20 0.33
PAK4 O96013 1/20 0.32
PRKX P51817 1/20 0.32
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TEC P42680 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
SCHEMBL1665156 0.80 KDM4A (0.37) DAO
SCHEMBL1662420 0.77 DAO (0.47) DAOAKR1B1LMNALCKBTK
SCHEMBL4715014 0.62 MAP4K4 (0.58) LMNAMAPK14TP53PAK4PRKX
SCHEMBL7500771 0.61 PCSK9 (0.53) DAOLMNASMN1; SMN2
SCHEMBL14232830 0.61 DAO (0.50) DAOAKR1B1LMNALCKBTK
SCHEMBL21729190 0.60 DAO (0.47) DAOAKR1B1LMNAP2RX7KDM4E
SCHEMBL14719577 0.60 DAO (0.50) DAOAKR1B1LMNALCKBTK
SCHEMBL5103941 0.59 DAO (0.46) DAOAKR1B1LCKBTKMAPK14
SCHEMBL5110657 0.59 DAO (0.45) DAOAKR1B1LCKBTKMAPK14
SCHEMBL2626804 0.58 DAO (0.50) DAOSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120220624-A1 PYRAZOLO [3,4-B] PYRIDIN-4-ONE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-08-30 US claimed
EP-2490693-A1 PYRAZOLO [3,4-b]PYRIDIN-4-ONE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-08-29 EP claimed
WO-2011049722-A1 PYRAZOLO [3,4-b] PYRIDIN-4-ONE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-04-28 WO claimed
US-20120220624-A1 PYRAZOLO [3,4-B] PYRIDIN-4-ONE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-08-30 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-20120220624-A1 PYRAZOLO [3,4-B] PYRIDIN-4-ONE KINASE INHIBITORS CDK1, CDK5, TTBK1 DAO 2121/4885AKR1B1 804/4885LMNA 1882/4885

“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.