SCHEMBL4471234

SCHEMBL4471234

N=C(N)Nc1ccc(F)c(F)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.49
NPC1 O15118 4/20 0.49
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
MAPT P10636 2/20 0.43
POLB P06746 1/20 0.43
TP53 P04637 1/20 0.41
SOS1 Q07889 1/20 0.41
NAMPT P43490 1/20 0.41
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
Nitric Acid SCHEMBL4467551 0.88 RAB9A (0.44) RAB9ANPC1MEN1KMT2AALDH1A1
Nitric Acid SCHEMBL4467542 0.88 RAB9A (0.44) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL4097428 0.85 RAB9A (0.44) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL17560577 0.84 FADS1 (0.39) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL10310181 0.82 MEN1 (0.62) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL12889264 0.82 PLAU (0.40) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL4795850 0.79 ALDH1A1 (0.61) RAB9ANPC1ALDH1A1HPGDTSHR
SCHEMBL1933289 0.79 KMT2A (0.50) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL8741155 0.78 TSHR (0.43) RAB9ANPC1MEN1KMT2AHPGD
SCHEMBL10310245 0.78 CYP1A2 (0.46) RAB9ANPC1MEN1KMT2AALDH1A1

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-7582630-B2 Pyradazine compounds as GSK-3 inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2009-09-01 US disclosed
US-20060069097-A1 Pyradazine compounds as gsk-3 inhibitors SMITHKLINE BEECHAM CORPORATION 2006-03-30 US disclosed
EP-1551842-A1 PYRADAZINE COMPOUNDS AS GSK-3 INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-07-13 EP disclosed
WO-2004035588-A1 PYRADAZINE COMPOUNDS AS GSK-3 INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-04-29 WO disclosed
EP-0961618-A4 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2002-07-17 EP disclosed
US-6369068-B1 Amino substituted pyrimidine containing compounds SMITHKLINE BEECHAM CORPORATION 2002-04-09 US disclosed
EP-0961618-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1999-12-08 EP disclosed
US-5869660-A Process of preparing imidazole compounds SMITHKLINE BEECHAM CORPORATION (US) 1999-02-09 US disclosed
WO-1998025619-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1998-06-18 WO disclosed
US-5739143-A Imidazole compounds and compositions SMITHKLINE BEECHAM CORPORATION (US) 1998-04-14 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 (1 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-20060069097-A1 Pyradazine compounds as gsk-3 inhibitors GSK3B, GSK3A, GSKIP RAB9A 2488/4885NPC1 3558/4885MEN1 3198/4885

“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.