SCHEMBL2412552

SCHEMBL2412552

O=C(Nc1n[nH]c2sc(C(=O)Nc3cccc(F)c3)cc12)c1cccc(Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.48
JAK1 P23458 1/20 0.48
KCNK3 O14649 3/20 0.46
KCNK9 Q9NPC2 2/20 0.46
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
HPGD P15428 1/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
KCNQ3 O43525 1/20 0.43
KCNQ2 O43526 1/20 0.43
KCNQ5 Q9NR82 1/20 0.43
TP53 P04637 2/20 0.43
MAPT P10636 2/20 0.43
ESR1 P03372 1/20 0.42
ESRRG P62508 1/20 0.42

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
SCHEMBL2421407 0.96 KCNK3 (0.46) JAK2JAK1KCNK3KCNK9ALDH1A1
SCHEMBL2408560 0.93 MEN1 (0.51) KCNK3KCNK9RAB9ANPC1HPGD
SCHEMBL2421337 0.93 JAK2 (0.52) JAK2JAK1KCNK3KCNK9ALDH1A1
SCHEMBL2419112 0.89 KCNK3 (0.57) JAK2JAK1KCNK3KCNK9ALDH1A1
SCHEMBL2416480 0.86 KCNK3 (0.57) KCNK3KCNK9ALDH1A1POLBRAB9A
SCHEMBL2417368 0.86 KDR (0.51) KCNK3KCNK9ALDH1A1POLBRAB9A
SCHEMBL2412480 0.86 NPC1 (0.64) KCNK3KCNK9ALDH1A1POLBRAB9A
SCHEMBL2420119 0.86 P2RX1 (0.48) JAK2JAK1KCNK3KCNK9ALDH1A1
SCHEMBL2421378 0.85 RAB9A (0.49) JAK2JAK1ALDH1A1RAB9ANPC1
SCHEMBL2417159 0.84 USP2 (0.50) JAK2JAK1ALDH1A1RAB9ANPC1

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-7541378-B2 Condensed heterocyclic pyrazole derivatives as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2009-06-02 US claimed
EP-1530573-B1 CONDENSED HETEROCYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PFIZER ITALIA SRL (IT) 2008-03-19 EP claimed
US-8017643-B2 Condensed heterocyclic pyrazole derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-09-13 US disclosed
US-20100286223-A1 Condensed Heterocyclic Pyrazole Derivatives as Kinase Inhibitors PFIZER ITALIA S.R.L. (IT) 2010-11-11 US disclosed
US-7786048-B2 Condensed heterocyclic pyrazole derivatives as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2010-08-31 US disclosed
US-20090233813-A1 Condensed Heterocyclic Pyrazole Derivatives as Kinase Inhibitors PFIZER ITALIA S.R.L. (IT) 2009-09-17 US disclosed
US-7541378-B2 Condensed heterocyclic pyrazole derivatives as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2009-06-02 US disclosed
EP-1530573-B1 CONDENSED HETEROCYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PFIZER ITALIA SRL (IT) 2008-03-19 EP disclosed
US-20060122249-A1 Condensed heterocyclic pyrazole derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2006-06-08 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 (2 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-20100286223-A1 Condensed Heterocyclic Pyrazole Derivatives as Kinase Inhibitors CDK2, MAP3K19, MAP3K15 JAK2 73/4885JAK1 93/4885KCNK3 571/4885
US-20060122249-A1 Condensed heterocyclic pyrazole derivatives as kinase inhibitors CDK2, MAP3K19, MAP3K15 JAK2 73/4885JAK1 93/4885KCNK3 571/4885

“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.