SCHEMBL214374

SCHEMBL214374

Cc1ccc(Cl)cc1-n1cnc(C(N)=O)c1C(=O)Nc1nc2cc(OCC3CCNCC3)ccc2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 8/20 0.39
ITGB3 P05106 5/20 0.37
ITGA2B P08514 5/20 0.37
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
KLF5 Q13887 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRA6 Q16445 1/20 0.33
HCAR1 Q9BXC0 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
CHRM1 P11229 1/20 0.33
SLC6A2 P23975 1/20 0.33

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
Hydrochloric Acid SCHEMBL214582 0.99 CHEK2 (0.39) CHEK2ITGB3ITGA2BNPC1POLB
SCHEMBL214620 0.92 CHEK2 (0.39) CHEK2ITGB3ITGA2BNPC1RAB9A
Hydrochloric Acid SCHEMBL216277 0.91 CHEK2 (0.39) CHEK2ITGB3ITGA2BNPC1RAB9A
SCHEMBL216260 0.91 CHEK2 (0.35) CHEK2NPC1POLBRAB9AKLF5
Hydrochloric Acid SCHEMBL216946 0.90 TOP2A (0.35) CHEK2NPC1POLBRAB9AKLF5
SCHEMBL214814 0.89 CHEK2 (0.40) CHEK2ITGB3ITGA2BPOLBSLC6A2
Hydrochloric Acid SCHEMBL215295 0.88 CHEK2 (0.40) CHEK2ITGB3ITGA2BPOLBSLC6A2
Formamide SCHEMBL250192 0.84 CHEK2 (0.44) CHEK2ITGB3ITGA2BGABRA1GABRG2
SCHEMBL215291 0.83 MAPT (0.34) NPC1RAB9A
SCHEMBL214823 0.82 CHEK2 (0.35) CHEK2NPC1RAB9AHSP90AB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US claimed
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 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-20100136136-A1 JAK-2 Modulators and Methods of Use JAK2, JAK1, JAK3 CHEK2 412/4885ITGB3 2302/4885ITGA2B 1380/4885

“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.