SCHEMBL9985182

SCHEMBL9985182

CCOC(=O)c1cc2c(s1)CCC2=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.49
KDM4E B2RXH2 6/20 0.49
HPGD P15428 6/20 0.49
TDP1 Q9NUW8 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MAPK14 Q16539 1/20 0.41
MAPT P10636 6/20 0.40
GAA P10253 5/20 0.40
MAPK1 P28482 3/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HSD17B10 Q99714 5/20 0.40
TSHR P16473 1/20 0.40
LMNA P02545 2/20 0.39
GLA P06280 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39

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
SCHEMBL28725452 0.91 KDM4E (0.47) ALDH1A1KDM4EHPGDTDP1L3MBTL1
SCHEMBL28725446 0.81 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDTDP1L3MBTL1
SCHEMBL27153587 0.80 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDTDP1L3MBTL1
SCHEMBL9984897 0.75 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDTDP1L3MBTL1
SCHEMBL27138670 0.74 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDTDP1L3MBTL1
SCHEMBL27141027 0.74 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDTDP1L3MBTL1
SCHEMBL12848921 0.74 KDM4E (0.64) ALDH1A1KDM4EHPGDTDP1L3MBTL1
SCHEMBL20329146 0.74 KDM4E (0.62) ALDH1A1KDM4EHPGDTDP1L3MBTL1
SCHEMBL20620120 0.72 KDM4E (0.52) ALDH1A1KDM4EHPGDTDP1L3MBTL1
SCHEMBL988662 0.72 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDTDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2365970-B1 PYRIDAZINONES AND THEIR USE AS BTK INHIBITORS GILEAD CONNECTICUT INC (US) 2018-03-21 EP disclosed
US-8598174-B2 Pyridazinones, method of making, and method of use thereof GENETECH, INC. (US) 2013-12-03 US disclosed
US-20110301145-A1 PYRIDAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF Gilead Connecticut INc. (US) 2011-12-08 US disclosed
US-20110301145-A1 PYRIDAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF Gilead Connecticut INc. (US) 2011-12-08 US disclosed
US-20110301145-A1 PYRIDAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF Gilead Connecticut INc. (US) 2011-12-08 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 (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-20110301145-A1 PYRIDAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF BTK, SYK, LCK ALDH1A1 3488/4885KDM4E 1767/4885HPGD 858/4885

“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.