SCHEMBL439102

SCHEMBL439102

O=C(Nc1ccc(-c2cc(-c3cccnc3)ccc2Cl)cn1)c1c(F)cccc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 5/20 0.49
ABCC1 P33527 2/20 0.49
LMNA P02545 1/20 0.49
IL2 P60568 3/20 0.48
DEGS1 O15121 1/20 0.48
DYRK1A Q13627 2/20 0.46
CDC7 O00311 1/20 0.46
ROCK2 O75116 1/20 0.46
CDK8 P49336 1/20 0.46
ROCK1 Q13464 1/20 0.46
LRRK2 Q5S007 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
STK17A Q9UEE5 1/20 0.46
DYRK1B Q9Y463 1/20 0.46
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
PKM P14618 1/20 0.45
TSHR P16473 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL449982 0.88 IL2 (0.63) ABCB1ABCC1LMNAIL2DEGS1
SCHEMBL438951 0.87 IL2 (0.56) ABCB1ABCC1IL2DEGS1WNT3A
Hydrochloric Acid SCHEMBL450224 0.86 IL2 (0.55) ABCB1ABCC1IL2DEGS1WNT3A
SCHEMBL8239024 0.83 IL2 (0.54) LMNAIL2ALDH1A1SMN1; SMN2NPC1
SCHEMBL2813073 0.82 IL2 (0.47) IL2DYRK1ACDC7ROCK2CDK8
SCHEMBL2816823 0.82 IL2 (0.56) IL2DYRK1ACDC7ROCK2CDK8
SCHEMBL2811821 0.81 IL2 (0.72) IL2DEGS1ALDH1A1SMN1; SMN2NPC1
SCHEMBL2815969 0.79 IL2 (0.49) IL2DEGS1ALDH1A1SMN1; SMN2NPC1
SCHEMBL2814582 0.79 IL2 (0.49) IL2ALDH1A1SMN1; SMN2NPC1PKM
SCHEMBL11911923 0.79 IL2 (0.65) LMNAIL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120064121-A1 PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (MA) 2012-03-15 US claimed
EP-2182808-A1 PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2010-05-12 EP claimed
WO-2009017819-A1 PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2009-02-05 WO claimed
US-20120064121-A1 PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (MA) 2012-03-15 US disclosed
US-20120064121-A1 PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (MA) 2012-03-15 US disclosed
US-20120064121-A1 PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (MA) 2012-03-15 US disclosed
EP-2182808-A1 PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2010-05-12 EP disclosed
WO-2009017819-A1 PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2009-02-05 WO disclosed
WO-2009017819-A1 PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2009-02-05 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 (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-20120064121-A1 PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES IL5, CXCR3, TSLP ABCB1 1397/4885ABCC1 1193/4885LMNA 4824/4885

“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.