SCHEMBL5447476

SCHEMBL5447476

O=S(=O)(Cc1nc2[nH]c3ccccc3c2cc1Br)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
CA5A P35218 1/20 0.38
LMNA P02545 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PTGS2 P35354 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
RORC P51449 1/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
MAPT P10636 2/20 0.35
GAA P10253 1/20 0.35
GFER P55789 1/20 0.35
TTK P33981 1/20 0.34
MCOLN3 Q8TDD5 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34

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
SCHEMBL5454350 0.77 POLB (0.41) POLBCDK5CDK5R1LMNANPC1
SCHEMBL5440852 0.77 POLB (0.42) POLBCDK5CDK5R1LMNASMN1; SMN2
SCHEMBL5448780 0.76 CA5A (0.48) POLBCDK5CDK5R1CA5ANPC1
SCHEMBL5450544 0.71 POLB (0.36) POLBCDK5CDK5R1LMNANPC1
SCHEMBL5436613 0.70 ALK (0.38) POLB
SCHEMBL5443616 0.70 ALDH1A1 (0.43) POLBLMNATDP1KMT2AMEN1
SCHEMBL5447598 0.70 MAPT (0.48) POLBCDK5CDK5R1LMNANPC1
SCHEMBL28665437 0.69 CA5A (0.47) POLBCA5ALMNANPC1RAB9A
SCHEMBL4959129 0.68 CHEK1 (0.41) POLBCDK5LMNANPC1RAB9A
SCHEMBL4960733 0.68 EGFR (0.40) POLBTDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070004684-A1 Alpha-Carbolines as CDK-1 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-01-04 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-20070004684-A1 Alpha-Carbolines as CDK-1 inhibitors CDKL1, CDK1, CCNA1 POLB 323/4885CDK5 23/4885CDK5R1 33/4885

“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.