SCHEMBL4814640

SCHEMBL4814640

Clc1nnc(CCc2cccnc2)c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FLT1 P17948 1/20 0.48
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 2/20 0.46
CHRNA7 P36544 2/20 0.45
GPR84 Q9NQS5 1/20 0.43
CYP2A6 P11509 1/20 0.42
HRH4 Q9H3N8 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
HRH1 P35367 2/20 0.41
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
HTR5A P47898 1/20 0.40
FDPS P14324 1/20 0.39
HPGDS O60760 1/20 0.39

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
SCHEMBL4817310 0.93 CYP2A6 (0.49) FLT1CYP1A2CYP2D6CHRNA7GPR84
SCHEMBL5332250 0.86 FLT1 (0.62) FLT1CYP1A2CYP2D6HRH4HRH3
SCHEMBL4818505 0.79 GAA (0.43) FLT1GAAHRH1MAPT
SCHEMBL5753555 0.78 FLT1 (0.80) FLT1
SCHEMBL14267794 0.76 FLT1 (0.65) FLT1CYP1A2
SCHEMBL29981747 0.76 CYP1A2 (0.46) CYP1A2CYP2D6CHRNA7GPR84CYP2A6
SCHEMBL4828189 0.76 HTR1A (0.50) CYP1A2CYP2D6CHRNA7GPR84CYP2A6
SCHEMBL7569609 0.76 CYP1A2 (0.46) CYP1A2CYP2D6CHRNA7GPR84CYP2A6
SCHEMBL5753111 0.75 KMT2A (0.52) FLT1GAAMAPT
SCHEMBL724866 0.74 CHRNA7 (0.74) CYP1A2CYP2D6CHRNA7CYP2A6HRH4

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 13 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
CN-1221262-C Phthalazine derivatives for the treatment of inflammatory diseases NOVARTIS AG (CH) 2005-10-05 CN disclosed
CN-1660840-A Phthalazine derivatives for treating inflammatory diseases NOVARTIS AG (CH) 2005-08-31 CN 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
CN-1367695-A Phthalazine derivatives for the treatment of inflammatory diseases NOVARTIS AG (CH) 2002-09-04 CN 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 FLT1 1/4885CYP1A2 931/4885CYP2D6 2060/4885
US-20060217388-A1 Phthalazine derivatives for treating inflammatory diseases KDR, NR2E3, FLT1 FLT1 3/4885CYP1A2 2795/4885CYP2D6 4187/4885
US-20040142934-A1 Phthalazine derivatives for treating inflammatory diseases KDR, FLT1, TIE1 FLT1 2/4885CYP1A2 2708/4885CYP2D6 3973/4885
US-20050176711-A1 Phthalazine derivatives for treating inflammatory diseases FLT1, FLT4, KDR FLT1 1/4885CYP1A2 695/4885CYP2D6 2222/4885

“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.