SCHEMBL717941

SCHEMBL717941

Cc1cccc2cc([C@H](C)N)c(Cl)nc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.45
DRD3 P35462 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PIK3CD O00329 1/20 0.43
ATM Q13315 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
NFKB1 P19838 1/20 0.40
PNMT P11086 1/20 0.40
KDR P35968 8/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 1/20 0.39
GLA P06280 1/20 0.39
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL3656008 1.00 DRD4 (0.45) DRD4DRD3L3MBTL1PIK3CDATM
SCHEMBL26529514 0.87 LMNA (0.47) DRD4DRD3L3MBTL1PIK3CDATM
SCHEMBL10187 0.85 CYP1A2 (0.49) PIK3CDCYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL9622 0.85 CYP1A2 (0.49) PIK3CDCYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL1886074 0.84 DRD4 (0.45) DRD4DRD3L3MBTL1PIK3CDATM
SCHEMBL1880475 0.84 DRD4 (0.45) DRD4DRD3L3MBTL1PIK3CDATM
SCHEMBL22476053 0.83 PNMT (0.39) DRD4DRD3L3MBTL1PIK3CDCYP1A2
SCHEMBL19788572 0.83 PNMT (0.39) DRD4DRD3L3MBTL1PIK3CDCYP1A2
SCHEMBL9732163 0.81 DRD4 (0.53) DRD4DRD3L3MBTL1ATMKDR
SCHEMBL4176627 0.79 PIK3CD (0.68) PIK3CDATMCYP1A2CYP3A4CYP2D6

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 10 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-2231641-B1 QUINOXALINE AND QUINOLINE DERIVATIVES AS KINASE INHIBITORS UCB BIOPHARMA SPRL (BE) 2016-06-01 EP disclosed
EP-2403847-B1 TRIAZINE DERIVATIVES AS KINASE INHIBITORS UCB BIOPHARMA SPRL (BE) 2016-03-02 EP disclosed
US-8785628-B2 Triazine derivatives as kinase inhibitors UCB PHARMA, S.A. (BE) 2014-07-22 US disclosed
US-8513284-B2 Fused pyridine and pyrazine derivatives as kinase inhibitors UCB PHARMA, S.A. (BE) 2013-08-20 US disclosed
US-8399483-B2 Quinoxaline and quinoline derivatives as kinase inhibitors UCB PHARMA S.A. (BE) 2013-03-19 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
US-20110105508-A1 QUINOXALINE AND QUINOLINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA, S.A. (BE) 2011-05-05 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 (4 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-20120053167-A1 Triazine Derivatives as Kinase Inhibitors MAP3K15, PI4KA, MAP3K20 DRD4 4169/4885DRD3 2337/4885L3MBTL1 2277/4885
US-20120077815-A1 Fused Pyridine And Pyrazine Derivatives As Kinase Inhibitors PDPK1, PDXK, PIK3CA DRD4 3866/4885DRD3 3466/4885L3MBTL1 3865/4885
US-20120095005-A1 Fused Bicyclic Pyrazole Derivatives As Kinase Inhibitors PI4KA, PDPK1, PIK3CA DRD4 4386/4885DRD3 2871/4885L3MBTL1 4171/4885
US-20110105508-A1 QUINOXALINE AND QUINOLINE DERIVATIVES AS KINASE INHIBITORS PDXK, PDPK1, PIKFYVE DRD4 3720/4885DRD3 2440/4885L3MBTL1 3240/4885

“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.