SCHEMBL41607

SCHEMBL41607

[c]1ccccc1-c1cn[nH]c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 4/20 0.53
AKT1 P31749 1/20 0.53
ILK Q13418 1/20 0.40
ROCK2 O75116 3/20 0.38
CHEK1 O14757 3/20 0.35
CHEK2 O96017 2/20 0.35
PIM1 P11309 1/20 0.35
ALK Q9UM73 1/20 0.35
ABL1 P00519 1/20 0.34
FYN P06241 2/20 0.34
CLK2 P49760 2/20 0.34
HIPK1 Q86Z02 2/20 0.34
HIPK2 Q9H2X6 2/20 0.34
HIPK3 Q9H422 2/20 0.34
CLK4 Q9HAZ1 2/20 0.34
PDK2 Q15119 1/20 0.34
DYRK2 Q92630 1/20 0.34
FEN1 P39748 1/20 0.33
CLK1 P49759 1/20 0.33
KCNH2 Q12809 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
SCHEMBL16617063 0.73 ROCK2 (0.39) AKT2AKT1ILKROCK2
SCHEMBL3150004 0.72 AKT2 (0.47) AKT2AKT1ILKROCK2PIM1
Benzene SCHEMBL28198087 0.70 AKT2 (1.00) AKT2AKT1ILKROCK2CHEK1
SCHEMBL82741 0.70 AKT2 (1.00) AKT2AKT1ILKROCK2CHEK1
SCHEMBL722168 0.69 ATM (0.54) PIM1
SCHEMBL183516 0.69 ALDH1A1 (0.35)
SCHEMBL41140 0.69 ALDH1A1 (0.42)
SCHEMBL38202 0.69 ALDH1A1 (0.42)
SCHEMBL22462982 0.69 NPBWR1 (0.45) AKT2AKT1ROCK2ABL1PDK2
SCHEMBL16872766 0.69 AKT2 (0.95) AKT2AKT1ILKROCK2CHEK1

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 423 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2780322-B1 METHODS AND COMPOSITIONS ASSOCIATED WITH THE GRANULOCYTE COLONY-STIMULATING FACTOR RECEPTOR LIGAND PHARM INC (US) 2018-05-16 EP claimed
EP-1891067-B1 ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARM INC (US) 2016-01-13 EP claimed
WO-2012138648-A1 COMPOSITIONS AND METHODS FOR MODULATING LPA RECEPTORS IRM LLC (BM) 2012-10-11 WO claimed
EP-2049502-B1 2,4-SUBSTITUTED QUINAZOLINES AS LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2012-01-04 EP claimed
US-20090258882-A1 2,4-Substituted Quinazolines as Lipid Kinase Inhibitors NOVARTIS AG 2009-10-15 US claimed
CN-101490016-A 2,4-substituted quinazolines as lipid kinase inhibitors NOVARTIS AG (CH) 2009-07-22 CN claimed
EP-2049502-A1 2,4-SUBSTITUTED QUINAZOLINES AS LIPID KINASE INHIBITORS Novartis AG (CH) 2009-04-22 EP claimed
EP-1973886-A2 PROKINETICIN 1 RECEPTOR ANTAGONISTS Janssen Pharmaceutica, N.V. (BE) 2008-10-01 EP claimed
WO-2008012326-A1 2,4-SUBSTITUTED QUINAZOLINES AS LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2008-01-31 WO claimed
WO-2007079163-A2 PROKINETICIN 1 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-12 WO claimed
CN-118146635-A Coating composition with polysiloxane modified carbon nanoparticles NGNT材料科学公司 2024-06-07 CN disclosed
CN-110946865-B Methods for treating huntington's disease PTC医疗公司 2024-01-26 CN disclosed
US-11773110-B2 Heterocycle amines and uses thereof LIGAND PHARMACEUTICALS INCORPORATED (US) 2023-10-03 US disclosed
US-20230201161-A1 Combination comprising HDAC inhibitor, LAG-3 inhibitor and a PD-1 inhibitor or PD-L1 inhibitor for cancer treatment 4SC AG (DE) 2023-06-29 US disclosed
US-20230201201-A1 COMPOSITION FOR USE IN THE TREATMENT OF APOL1-ASSOCIATED DISEASE TECHNION RESEARCH & DEVELOPMENT FOUNDATION LIMITED (IL) 2023-06-29 US disclosed
US-20040180893-A1 enzymatically or synthetically prepared alpha-hydroxyglycinamide inhibit the replication of HIV in human serum TRIPEP AB (SE) 2004-09-16 US disclosed
WO-2004073703-A1 GLYCINAMIDE DERIVATIVE FOR INHIBITING HIV REPLICATION TRIPEP AB (SE) 2004-09-02 WO disclosed
CN-1517341-A Pyrazolylalkyne 拜尔化学品股份公司 2004-08-04 CN disclosed
US-20040106600-A1 N-substituted piperidine derivatives as serotonin receptor agents ACADIA PHARMACEUTICALS, INC. 2004-06-03 US disclosed
WO-2004000808-A2 N-SUBSTITUTED PIPERIDINE DERIVATIVES AS SEROTONIN RECEPTOR AGENTS ACADIA PHARMACEUTICALS INC. (US) 2003-12-31 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-20230201201-A1 COMPOSITION FOR USE IN THE TREATMENT OF APOL1-ASSOCIATED DISEASE APOL1, APOB, LIPA AKT2 3982/4885AKT1 4514/4885ILK 2724/4885
US-20040106600-A1 N-substituted piperidine derivatives as serotonin receptor agents HTR1A, HTR5A, HTR1B AKT2 1237/4885AKT1 1064/4885ILK 4877/4885
US-11773110-B2 Heterocycle amines and uses thereof HNMT, NQO1, ACHE AKT2 2015/4885AKT1 1503/4885ILK 2361/4885
US-20090258882-A1 2,4-Substituted Quinazolines as Lipid Kinase Inhibitors PDPK1, PI4KA, PIK3CA AKT2 64/4885AKT1 85/4885ILK 2080/4885
US-20040180893-A1 enzymatically or synthetically prepared alpha-hydroxyglycinamide inhibit the replication of HIV in human serum ENGASE, GALE, OGA AKT2 3324/4885AKT1 3301/4885ILK 3267/4885
US-20230201161-A1 Combination comprising HDAC inhibitor, LAG-3 inhibitor and a PD-1 inhibitor or PD-L1 inhibitor for cancer treatment HDAC1, HDAC3, HDAC11 AKT2 2257/4885AKT1 1965/4885ILK 1468/4885

“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.