SCHEMBL17816989

SCHEMBL17816989

Cc1nc2c(C(=O)c3ccccc3)ccc(OCc3ccccc3)n2c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 1/20 0.42
CCNE2 O96020 1/20 0.42
CDK1 P06493 1/20 0.42
CCNB1 P14635 1/20 0.42
CCNE1 P24864 1/20 0.42
CDK2 P24941 1/20 0.42
CCNB3 Q8WWL7 1/20 0.42
KDM5A P29375 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
ALKBH1 Q13686 2/20 0.40
SRD5A2 P31213 2/20 0.40
MAOB P27338 1/20 0.40
ALDH1A1 P00352 3/20 0.39
ATP4A P20648 2/20 0.39
ATP4B P51164 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HTT P42858 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
ATM Q13315 1/20 0.39
NR4A2 P43354 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
SCHEMBL23016810 0.88 L3MBTL1 (0.47) KDM5AKDM4CALKBH1MAOBATP4A
SCHEMBL4469266 0.74 ALDH1A1 (0.45) CCNB2CCNE2CDK1CCNB1CCNE1
SCHEMBL2193253 0.71 L3MBTL1 (0.44) KDM5AKDM4CALKBH1MAOBATP4A
SCHEMBL14315506 0.70 SRD5A2 (0.60) SRD5A2MAOBALDH1A1SMN1; SMN2HTT
SCHEMBL3520905 0.69 CCNB2 (0.51) CCNB2CCNE2CDK1CCNB1CCNE1
SCHEMBL4591666 0.66 ATP4A (0.50) KDM5AKDM4CALKBH1ATP4AATP4B
SCHEMBL8670382 0.65 SGMS2 (0.60) SRD5A2ALDH1A1HTTL3MBTL1ATM
SCHEMBL5171831 0.64 MRGPRX4 (0.59) ATMGAA
SCHEMBL26863 0.64 MAOB (0.71) SRD5A2MAOBALDH1A1SMN1; SMN2HTT
SCHEMBL5119495 0.64 SRD5A2 (0.59) SRD5A2MAOBALDH1A1SMN1; SMN2HTT

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
EP-3229811-B1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS GRI BIO INC (US) 2021-02-24 EP disclosed
WO-2016094226-A1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS GLYCOREGIMMUNE, INC. (US) 2016-06-16 WO disclosed
US-20160158258-A1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS ALTIUM GROWTH FUND, LP 2016-06-09 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-20160158258-A1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS RXRA, RXRG, CX3CR1 CCNB2 3177/4885CCNE2 3344/4885CDK1 4178/4885

“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.