SCHEMBL1662424

SCHEMBL1662424

COc1ccnc(Cl)c1C(=O)C1CCC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4D Q08499 1/20 0.39
KDM2B Q8NHM5 4/20 0.38
HPGD P15428 1/20 0.38
POLB P06746 1/20 0.38
HCRTR1 O43613 4/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GRM5 P41594 1/20 0.36
TYK2 P29597 2/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
HCRTR2 O43614 3/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 1/20 0.36
MGLL Q99685 1/20 0.36

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
SCHEMBL1662996 0.78 TSHR (0.41) TSHRPDE4BPDE4DKDM2BHPGD
SCHEMBL16995116 0.78 CA9 (0.41) PDE4BPDE4DPOLBSMN1; SMN2KMT2A
SCHEMBL4969142 0.78 CA12 (0.53) HPGDPOLBSMN1; SMN2KMT2A
SCHEMBL31507349 0.78 CA9 (0.41) PDE4BPDE4DPOLBSMN1; SMN2KMT2A
SCHEMBL16198442 0.76 ATR (0.43) TSHRHPGDPOLBHCRTR1HCRTR2
SCHEMBL416232 0.74 TYK2 (0.43) TYK2JAK2JAK1KMT2A
SCHEMBL1168812 0.72 GAA (0.44) POLBSMN1; SMN2KMT2A
SCHEMBL6823880 0.71 CA12 (0.57) HPGDPOLBSMN1; SMN2KMT2AMAPT
SCHEMBL31507330 0.71 MEN1 (0.39) POLBKMT2A
SCHEMBL26670624 0.69 GRM4 (0.40) TSHRHPGDPOLBSMN1; SMN2KMT2A

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 6 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 disclosed
US-20120220624-A1 PYRAZOLO [3,4-B] PYRIDIN-4-ONE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-08-30 US disclosed
US-20120220624-A1 PYRAZOLO [3,4-B] PYRIDIN-4-ONE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-08-30 US disclosed
EP-2490693-A1 PYRAZOLO [3,4-b]PYRIDIN-4-ONE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-08-29 EP disclosed
WO-2011049722-A1 PYRAZOLO [3,4-b] PYRIDIN-4-ONE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-04-28 WO disclosed
WO-2011049722-A1 PYRAZOLO [3,4-b] PYRIDIN-4-ONE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-04-28 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 (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 TSHR 3111/4885PDE4B 970/4885PDE4D 1164/4885

“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.