Sugi Predict

Sugi Predict / Compounds / SCHEMBL10187

SCHEMBL10187

SCHEMBL10187

C[C@H](N)c1cc2cccc(Cl)c2nc1Cl

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ NFKB1 P19838 1/20 0.49
▸ PNMT P11086 1/20 0.49
▸ LMNA P02545 4/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ GLA P06280 1/20 0.47
▸ TP53 P04637 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ PIK3CD O00329 5/20 0.40
▸ NR4A2 P43354 3/20 0.38
▸ PDCD1LG2 Q9BQ51 3/20 0.35
▸ CD274 Q9NZQ7 3/20 0.35
▸ PDE10A Q9Y233 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ ALOX5 P09917 1/20 0.33
▸ SRC P12931 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
SCHEMBL9622 1.00 CYP1A2 (0.49) CYP1A2CYP3A4CYP2D6NFKB1PNMT
SCHEMBL717941 0.85 DRD4 (0.45) CYP1A2CYP3A4CYP2D6NFKB1PNMT
SCHEMBL3656008 0.85 DRD4 (0.45) CYP1A2CYP3A4CYP2D6NFKB1PNMT
Hydrochloric Acid SCHEMBL863976 0.84 LMNA (0.49) CYP1A2CYP3A4CYP2D6NFKB1PNMT
SCHEMBL22476053 0.84 PNMT (0.39) CYP1A2CYP3A4CYP2D6NFKB1PNMT
SCHEMBL19788572 0.84 PNMT (0.39) CYP1A2CYP3A4CYP2D6NFKB1PNMT
Hydrochloric Acid SCHEMBL863977 0.84 LMNA (0.49) CYP1A2CYP3A4CYP2D6NFKB1PNMT
SCHEMBL4178743 0.83 PIK3CD (0.37) CYP1A2CYP3A4CYP2D6NFKB1PNMT
SCHEMBL4182711 0.83 PIK3CD (0.37) CYP1A2CYP3A4CYP2D6NFKB1PNMT
SCHEMBL10251857 0.81 PIK3CD (0.44) CYP1A2CYP3A4CYP2D6NFKB1PNMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2396315-B1 QUINOLINE DERIVATIVES AS PI3K KINASE INHIBITORS UCB BIOPHARMA SPRL (BE) 2016-08-31 — — EP disclosed
EP-2403847-B1 TRIAZINE DERIVATIVES AS KINASE INHIBITORS UCB BIOPHARMA SPRL (BE) 2016-03-02 — — EP disclosed
US-8957090-B2 Fused bicyclic pyridine and pyrazine derivatives as kinase inhibitors UCB PHARMA S.A. (BE) 2015-02-17 — — US disclosed
EP-2499126-B1 FUSED BICYCLIC PYRIDINE AND PYRAZINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA SA (BE) 2015-01-07 — — EP disclosed
EP-2499129-B1 QUINOLINE AND QUINOXALINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA SA (BE) 2014-07-30 — — EP disclosed
US-8785628-B2 Triazine derivatives as kinase inhibitors UCB PHARMA, S.A. (BE) 2014-07-22 — — US disclosed
US-8653105-B2 Quinoline derivatives as kinase inhibitors UCB PHARMA S.A. (BE) 2014-02-18 — — US disclosed
US-8637543-B2 Quinoline derivatives as kinase inhibitors UCB PHARMA S.A. (BE) 2014-01-28 — — US disclosed
EP-2499144-B1 QUINOLINE AND QUINOXALINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA SA (BE) 2013-10-23 — — EP disclosed
US-8513284-B2 Fused pyridine and pyrazine derivatives as kinase inhibitors UCB PHARMA, S.A. (BE) 2013-08-20 — — US disclosed
US-20130018057-A1 Quinoline and Quinoxaline Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2013-01-17 — — US disclosed
US-20130012517-A1 Quinoline and Quinoxaline Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2013-01-10 — — US disclosed
US-20130012515-A1 Fused Bicyclic Pyridine and Pyrazine Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2013-01-10 — — US disclosed
US-20120095005-A1 Fused Bicyclic Pyrazole Derivatives As Kinase Inhibitors UCB PHARMA S.A. (BE) 2012-04-19 — — US disclosed
US-20120077815-A1 Fused Pyridine And Pyrazine Derivatives As Kinase Inhibitors UCB PHARMA S.A. (BE) 2012-03-29 — — US disclosed
US-20120053167-A1 Triazine Derivatives as Kinase Inhibitors UCB PHARMA, S.A. (BE) 2012-03-01 — — US disclosed
WO-2011058109-A1 FUSED BICYCLIC PYRROLE AND IMIDAZOLE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2011-05-19 — — 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 (6 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-20130018057-A1 Quinoline and Quinoxaline Derivatives as Kinase Inhibitors PDXK, CDK3, MAP3K13 CYP1A2 2321/4885CYP3A4 1594/4885CYP2D6 1726/4885
US-20120053167-A1 Triazine Derivatives as Kinase Inhibitors MAP3K15, PI4KA, MAP3K20 CYP1A2 2609/4885CYP3A4 2997/4885CYP2D6 4112/4885
US-20120077815-A1 Fused Pyridine And Pyrazine Derivatives As Kinase Inhibitors PDPK1, PDXK, PIK3CA CYP1A2 2026/4885CYP3A4 1144/4885CYP2D6 2486/4885
US-20130012515-A1 Fused Bicyclic Pyridine and Pyrazine Derivatives as Kinase Inhibitors MAP3K13, MAP3K15, MAP3K12 CYP1A2 3658/4885CYP3A4 2136/4885CYP2D6 3726/4885
US-20120095005-A1 Fused Bicyclic Pyrazole Derivatives As Kinase Inhibitors PI4KA, PDPK1, PIK3CA CYP1A2 1025/4885CYP3A4 1180/4885CYP2D6 1756/4885
US-20130012517-A1 Quinoline and Quinoxaline Derivatives as Kinase Inhibitors PDXK, MAP2K2, PDPK1 CYP1A2 1441/4885CYP3A4 1196/4885CYP2D6 1085/4885

“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.