SCHEMBL4816780

SCHEMBL4816780

Cc1cc(Cc2nnc(NCc3ccc(Cl)cc3)c3ccccc23)ccn1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 10/20 0.74
FLT1 P17948 9/20 0.74
PDGFRB P09619 5/20 0.51
KIT P10721 5/20 0.51
EGFR P00533 2/20 0.51
CSF1R P07333 2/20 0.51
FLT4 P35916 2/20 0.51
CIT O14578 1/20 0.51
HLA-A P04439 1/20 0.51
RET P07949 1/20 0.51
PDGFRA P16234 1/20 0.51
RPS6KB1 P23443 1/20 0.51
FRK P42685 1/20 0.51
CDK8 P49336 1/20 0.51
DDR1 Q08345 1/20 0.51
STK3 Q13188 1/20 0.51
PTK6 Q13882 1/20 0.51
MAP3K19 Q56UN5 1/20 0.51
CDK19 Q9BWU1 1/20 0.51
MAP3K20 Q9NYL2 1/20 0.51

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
SCHEMBL6498239 0.85 KDR (1.00) KDRFLT1PDGFRBKITEGFR
SCHEMBL20431238 0.80 KDR (0.64) KDRFLT1PDGFRBKITEGFR
SCHEMBL4814035 0.78 FLT1 (0.65) KDRFLT1PDGFRBKITEGFR
SCHEMBL29841352 0.78 FLT1 (0.65) KDRFLT1PDGFRBKITEGFR
SCHEMBL20431337 0.78 KDR (0.59) KDRFLT1PDGFRBKITEGFR
Chlorobenzene SCHEMBL27512593 0.77 KDR (0.64) KDRFLT1PDGFRBKITEGFR
SCHEMBL20431352 0.76 KDR (0.57) KDRFLT1PDGFRBKITEGFR
SCHEMBL4816800 0.76 FLT1 (0.73) KDRFLT1PDGFRBKITEGFR
SCHEMBL20431313 0.75 KDR (0.61) KDRFLT1PDGFRBKITEGFR
SCHEMBL905657 0.73 FLT1 (0.68) KDRFLT1PDGFRBKITEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7329660-B2 Phthalazine derivatives for treating inflammatory diseases NOVARTIS AG (CH) 2008-02-12 US disclosed
US-20060217388-A1 Phthalazine derivatives for treating inflammatory diseases BOLD GUIDO 2006-09-28 US disclosed
EP-1165085-B1 PHTHALAZINE DERIVATIVES FOR TREATING INFLAMMATORY DISEASES NOVARTIS AG (CH) 2006-06-14 EP disclosed
US-20050176711-A1 Phthalazine derivatives for treating inflammatory diseases BOLD GUIDO (CH) 2005-08-11 US disclosed
US-6911440-B2 Phthalazine derivatives for treating inflammatory diseases NOVARTIS AG (CH) 2005-06-28 US disclosed
US-20040142934-A1 Phthalazine derivatives for treating inflammatory diseases BOLD GUIDO (CH) 2004-07-22 US disclosed
US-6686347-B2 RHEUMATIC DISEASES; ANALGESICS; ENZYME INHIBITORS NOVARTIS AG (CH) 2004-02-03 US disclosed
US-20030013718-A1 Phthalazine derivatives for treating inflammatory diseases NOVARTIS AG (CH) 2003-01-16 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-20030013718-A1 Phthalazine derivatives for treating inflammatory diseases FLT1, KDR, FFAR2 KDR 2/4885FLT1 1/4885PDGFRB 65/4885
US-20060217388-A1 Phthalazine derivatives for treating inflammatory diseases KDR, NR2E3, FLT1 KDR 1/4885FLT1 3/4885PDGFRB 85/4885
US-20040142934-A1 Phthalazine derivatives for treating inflammatory diseases KDR, FLT1, TIE1 KDR 1/4885FLT1 2/4885PDGFRB 41/4885
US-20050176711-A1 Phthalazine derivatives for treating inflammatory diseases FLT1, FLT4, KDR KDR 3/4885FLT1 1/4885PDGFRB 77/4885

“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.