Sugi Predict

Sugi Predict / Compounds / SCHEMBL9984203

SCHEMBL9984203

SCHEMBL9984203

Cc1cc2[nH]c3c(C(=O)O)ncc(-c4ccccc4F)c3c2cc1Oc1cncnc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKAB2 O43741 2/20 0.35
▸ PRKAG1 P54619 2/20 0.35
▸ PRKAA2 P54646 2/20 0.35
▸ PRKAA1 Q13131 2/20 0.35
▸ PRKAG3 Q9UGI9 2/20 0.35
▸ PRKAG2 Q9UGJ0 2/20 0.35
▸ PRKAB1 Q9Y478 2/20 0.35
▸ DHODH Q02127 5/20 0.33
▸ FEN1 P39748 2/20 0.33
▸ BTK Q06187 5/20 0.33
▸ PIM1 P11309 1/20 0.33
▸ DYRK3 O43781 1/20 0.32
▸ DYRK1A Q13627 1/20 0.32
▸ DYRK2 Q92630 1/20 0.32
▸ DYRK1B Q9Y463 1/20 0.32
▸ TNKS O95271 1/20 0.32
▸ TNKS2 Q9H2K2 1/20 0.32
▸ AURKA O14965 1/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ LCK P06239 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
SCHEMBL9984550 0.92 BTK (0.36) FEN1BTKPIM1TNKSTNKS2
SCHEMBL9983345 0.90 GABRA1 (0.40) JAK2
SCHEMBL17416598 0.84 DHODH (0.35) DHODHBTKDYRK3DYRK1ADYRK2
SCHEMBL12071920 0.74 BTK (0.42) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL12071963 0.69 BTK (0.44) BTKDYRK3DYRK1ADYRK2DYRK1B
SCHEMBL9983438 0.69 JAK2 (0.46) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL9984228 0.68 BTK (0.45) BTKJAK2
SCHEMBL12071461 0.67 GABRG2 (0.43) BTKAURKAJAK2LCKLYN
SCHEMBL12071962 0.67 JAK2 (0.49) BTKJAK2
SCHEMBL9983448 0.67 JAK2 (0.53) BTKAURKAJAK2LCKLYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2582668-B1 CARBOLINE CARBOXAMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-01-13 — — EP disclosed
EP-2582668-B1 CARBOLINE CARBOXAMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-01-13 — — EP disclosed
EP-2582668-A1 CARBOLINE CARBOXAMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2013-04-24 — — EP disclosed
US-20130096118-A1 CARBOLINE CARBOXAMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2013-04-18 — — US disclosed
US-20130096118-A1 CARBOLINE CARBOXAMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2013-04-18 — — US disclosed
WO-2011159857-A1 CARBOLINE CARBOXAMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-12-22 — — WO disclosed
WO-2011159857-A1 CARBOLINE CARBOXAMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-12-22 — — 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-20130096118-A1 CARBOLINE CARBOXAMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BTK, PRKACA, CILK1 PRKAB2 129/4885PRKAG1 128/4885PRKAA2 85/4885

“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.