SCHEMBL3508263

SCHEMBL3508263

CCC(C(=O)O)n1cc(-c2ccc(Cl)nc2C)nn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 4/20 0.37
CA2 P00918 2/20 0.35
CA9 Q16790 1/20 0.35
EGLN1 Q9GZT9 2/20 0.34
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33
ALB P02768 1/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
METAP2 P50579 1/20 0.32
MAPK14 Q16539 1/20 0.31
F11 P03951 1/20 0.31

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
SCHEMBL3510500 0.78 EGLN1 (0.45) CA2CA9EGLN1JAK2JAK1
SCHEMBL3736864 0.75 MAPK14 (0.42) MAPK14HDAC3HDAC4HDAC1HDAC7
SCHEMBL1646427 0.72 HDAC3 (0.37) CA2CA9EGLN1JAK2JAK1
SCHEMBL1155990 0.72 KDM4E (0.39) JAK2JAK1TYK2JAK3KDM4E
SCHEMBL13117278 0.71 MAPK14 (0.46) ALDH1A1MAPK1MAPK14
SCHEMBL3508024 0.71 JAK2 (0.36) PDE2ACA2CA9EGLN1JAK2
SCHEMBL3512272 0.69 MAPT (0.41) MAPK14HDAC3HDAC4HDAC1HDAC7
SCHEMBL12985281 0.69 HSD17B1 (0.48) CA2CA9EGLN1ALBAKR1C3
SCHEMBL10675822 0.68 KDM4E (0.38) JAK2JAK1TYK2JAK3KDM4E
SCHEMBL3510834 0.68 NPC1 (0.38) ALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367706-B2 Inhibitors of janus kinases MERCK SHARP & DOHME CORP. (US) 2013-02-05 US disclosed
US-20100256097-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2010-10-07 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-20100256097-A1 INHIBITORS OF JANUS KINASES JAK2, JAK3, JAK1 PDE2A 1434/4885CA2 3829/4885CA9 4228/4885

“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.