SCHEMBL5872883

SCHEMBL5872883

COc1cccc(-c2sc(-c3n[nH]c4c(Cl)cccc34)nc2C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 8/20 0.42
ADORA1 P30542 6/20 0.42
DYRK3 O43781 1/20 0.40
CDK9 P50750 1/20 0.40
DYRK1A Q13627 1/20 0.40
DYRK2 Q92630 1/20 0.40
DYRK1B Q9Y463 1/20 0.40
DCUN1D1 Q96GG9 1/20 0.40
ALOX5 P09917 1/20 0.39
GAA P10253 1/20 0.38
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
NFKB1 P19838 1/20 0.37
RAB9A P51151 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL5769573 0.85 F2RL3 (0.39) MAPTSMN1; SMN2NFKB1RAB9ANFKB2
SCHEMBL5769801 0.84 ITK (0.48) ADORA2AADORA1DCUN1D1ALOX5GAA
SCHEMBL5770363 0.73 FGFR1 (0.39) ADORA2AADORA1DYRK3DYRK1AMAPT
SCHEMBL1407655 0.73 CHEK1 (0.50) ADORA2ADYRK1AMAPTCHEK1FLT3
SCHEMBL327291 0.73 MEN1 (0.54) DYRK1ADCUN1D1GAAMAPTSMN1; SMN2
SCHEMBL5873225 0.72 KDM4E (0.49) DYRK3CDK9DYRK1ADYRK2DYRK1B
SCHEMBL1407062 0.72 CHEK1 (0.43) CDK9DYRK1ADYRK2DYRK1BGAA
SCHEMBL16806034 0.70 ALOX5 (0.72) ALOX5GAAMAPTSMN1; SMN2NFKB1
SCHEMBL1407747 0.69 CYP1A2 (0.46) CDK9DYRK1ADYRK2DYRK1BGAA
SCHEMBL5773591 0.68 JAK2 (0.47) GAASMN1; SMN2RAB9AMAPK1CHEK1

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-6984652-B2 Gyrase inhibitors WARNER-LAMBERT COMPANY LLC (US) 2006-01-10 US disclosed
US-20050250823-A1 Gyrase inhibitors YAGER KRAIG 2005-11-10 US disclosed
US-20050054697-A1 Gyrase inhibitors PFIZER INC. 2005-03-10 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-20050054697-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B ADORA2A 4569/4885ADORA1 4370/4885DYRK3 1986/4885
US-20050250823-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B ADORA2A 4569/4885ADORA1 4370/4885DYRK3 1986/4885

“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.