SCHEMBL4859948

SCHEMBL4859948

O=C(NCCCl)Nc1ccnc2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
HTT P42858 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
LMNA P02545 1/20 0.57
PLK4 O00444 1/20 0.55
CHEK1 O14757 1/20 0.55
PDPK1 O15530 1/20 0.55
PRKD3 O94806 1/20 0.55
MAP4K4 O95819 1/20 0.55
CHEK2 O96017 1/20 0.55
CDK1 P06493 1/20 0.55
PIM1 P11309 1/20 0.55
RPS6KB1 P23443 1/20 0.55
CDK2 P24941 1/20 0.55
FLT4 P35916 1/20 0.55
KDR P35968 1/20 0.55
CSNK1D P48730 1/20 0.55
CDK8 P49336 1/20 0.55
CLK2 P49760 1/20 0.55
GSK3A P49840 1/20 0.55

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
SCHEMBL6397828 0.93 ALDH1A1 (0.56) ALDH1A1HTTSMN1; SMN2LMNAPLK4
SCHEMBL27579461 0.83 PLK4 (0.73) ALDH1A1HTTSMN1; SMN2LMNAPLK4
SCHEMBL28270221 0.82 HTT (0.81) ALDH1A1HTTSMN1; SMN2LMNAPLK4
SCHEMBL4863981 0.82 PLK4 (0.56) ALDH1A1HTTSMN1; SMN2LMNAPLK4
Hydrochloric Acid SCHEMBL4860155 0.81 PLK4 (0.55) ALDH1A1HTTSMN1; SMN2LMNAPLK4
SCHEMBL5527306 0.79 HRH3 (0.68) KDM4EMEN1KMT2A
SCHEMBL5735461 0.78 MAPT (0.57) HTR2CMEN1KMT2A
SCHEMBL4853400 0.77 HTT (0.60) ALDH1A1HTTSMN1; SMN2HTR2CKDM4E
SCHEMBL16596346 0.77 HTR1A (0.80) CDK8HTR1AADRA1DADRA1AADRA1B
SCHEMBL7372365 0.77 PABPC1 (0.61) ALDH1A1HTTSMN1; SMN2LMNAPLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7375227-B2 Quinoline derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2008-05-20 US disclosed
US-7375227-B2 Quinoline derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2008-05-20 US disclosed
US-7375227-B2 Quinoline derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2008-05-20 US disclosed
US-20060211707-A1 Piperazine-alkyl-ureido derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2006-09-21 US disclosed
EP-1631565-A1 PIPERAZINE-ALKYL-UREIDO DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2006-03-08 EP disclosed
EP-1499607-B1 4-(PIPERIDYL- AND PYRROLIDYL-ALKYL-UREIDO)-QUINOLINES AS UROTENSIN II RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2005-12-07 EP disclosed
EP-1379523-B1 1,2,3,4-TETRAHYDROISOQUINOLINES DERIVATIVES AS UROTENSIN II RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2005-07-27 EP disclosed
US-20050043535-A1 4-(Piperidyl-and pyrrolidyl-alkyl-ureido)-quinolines as urotensin II receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2005-02-24 US disclosed
EP-1499607-A1 4-(PIPERIDYL- AND PYRROLIDYL-ALKYL-UREIDO)-QUINOLINES AS UROTENSIN II RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2005-01-26 EP disclosed
US-20040242564-A1 1,2,3,4-tetrahydroisoquinolines derivatives VELKER JORG (DE) 2004-12-02 US disclosed
WO-2004099179-A1 PIPERAZINE-ALKYL-UREIDO DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2004-11-18 WO disclosed
US-6815451-B2 1,2,3,4-Tetrahydroisoquinolines derivatives as urotensin II receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2004-11-09 US disclosed
US-20040110744-A1 1 2 3 4 Tetrahydroisoquinolines derivatives as urotensin II receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2004-06-10 US disclosed
WO-2003048154-A1 4-(PIPERIDYL- AND PYRROLIDYL-ALKYL-UREIDO) -QUINOLINES AS UROTENSIN II RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2003-06-12 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 (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-20040242564-A1 1,2,3,4-tetrahydroisoquinolines derivatives ADRA2C, ADRA1D, ADRB3 ALDH1A1 1364/4885HTT 684/4885SMN1; SMN2 2811/4885
US-20050043535-A1 4-(Piperidyl-and pyrrolidyl-alkyl-ureido)-quinolines as urotensin II receptor antagonists UTS2R, NTSR2, PLAUR ALDH1A1 2993/4885HTT 681/4885SMN1; SMN2 2452/4885
US-20060211707-A1 Piperazine-alkyl-ureido derivatives ADRA2C, UTS2R, ADRB2 ALDH1A1 2026/4885HTT 502/4885SMN1; SMN2 2314/4885
US-20040110744-A1 1 2 3 4 Tetrahydroisoquinolines derivatives as urotensin II receptor antagonists UTS2R, NTSR2, NTSR1 ALDH1A1 2575/4885HTT 882/4885SMN1; SMN2 2177/4885

“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.