SCHEMBL4820797

SCHEMBL4820797

Cc1cccc(Nc2nncc3ccccc23)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.59
MAPT P10636 3/20 0.59
KDM4E B2RXH2 3/20 0.59
NPC1 O15118 2/20 0.59
RAB9A P51151 2/20 0.59
MEN1 O00255 1/20 0.59
MAPK1 P28482 1/20 0.59
KMT2A Q03164 1/20 0.59
KDR P35968 10/20 0.58
EGFR P00533 8/20 0.58
ABCB1 P08183 1/20 0.52
ABCG2 Q9UNQ0 1/20 0.52
TP53 P04637 3/20 0.51
CYP3A4 P08684 2/20 0.51
GOT1 P17174 2/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
MPO P05164 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 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
SCHEMBL479267 0.82 EGFR (0.76) SMN1; SMN2MAPTKDM4ENPC1RAB9A
SCHEMBL31426459 0.82 EGFR (0.76) SMN1; SMN2MAPTKDM4ENPC1RAB9A
SCHEMBL4783313 0.82 EGFR (0.58) SMN1; SMN2MAPTKDM4ENPC1RAB9A
SCHEMBL13286756 0.79 NPC1 (0.71) SMN1; SMN2MAPTKDM4ENPC1RAB9A
SCHEMBL20356686 0.78 EGFR (0.61) SMN1; SMN2MAPTKDM4EMAPK1KMT2A
SCHEMBL13304892 0.78 GAA (0.47) SMN1; SMN2MAPTKDM4ENPC1RAB9A
SCHEMBL13056966 0.77 EGFR (0.59) SMN1; SMN2MAPTNPC1RAB9AMEN1
SCHEMBL17083353 0.77 EGFR (0.50) KDREGFR
SCHEMBL3759264 0.75 EGFR (0.74) SMN1; SMN2MAPTKDM4ENPC1RAB9A
SCHEMBL31060970 0.74 KDR (1.00) SMN1; SMN2MAPTKDRTP53PDGFRB

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
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
EP-1165085-A1 PHTHALAZINE DERIVATIVES FOR TREATING INFLAMMATORY DISEASES Novartis AG (CH) 2002-01-02 EP disclosed
WO-2000059509-A1 PHTHALAZINE DERIVATIVES FOR TREATING INFLAMMATORY DISEASES NOVARTIS AG (CH) 2000-10-12 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-20030013718-A1 Phthalazine derivatives for treating inflammatory diseases FLT1, KDR, FFAR2 SMN1; SMN2 3093/4885MAPT 3847/4885KDM4E 1959/4885
US-20060217388-A1 Phthalazine derivatives for treating inflammatory diseases KDR, NR2E3, FLT1 SMN1; SMN2 2321/4885MAPT 683/4885KDM4E 2355/4885
US-20040142934-A1 Phthalazine derivatives for treating inflammatory diseases KDR, FLT1, TIE1 SMN1; SMN2 3075/4885MAPT 632/4885KDM4E 2156/4885
US-20050176711-A1 Phthalazine derivatives for treating inflammatory diseases FLT1, FLT4, KDR SMN1; SMN2 3971/4885MAPT 3648/4885KDM4E 1984/4885

“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.