SCHEMBL12698727

SCHEMBL12698727

CCC(Nc1cncc(-c2ccc(O)c(OC)c2)n1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNC P24863 1/20 0.60
▸ CDK8 P49336 1/20 0.60
▸ CSF1R P07333 3/20 0.53
▸ FYN P06241 4/20 0.52
▸ CCNT1 O60563 7/20 0.51
▸ CDK9 P50750 7/20 0.51
▸ CDK2 P24941 2/20 0.50
▸ LDHA P00338 1/20 0.45
▸ LDHB P07195 1/20 0.45
▸ GAA P10253 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ GLA P06280 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ PPARG P37231 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ NCOA2 Q15596 1/20 0.42
▸ NCOA1 Q15788 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL5203867 1.00 CCNC (0.60) CCNCCDK8CSF1RFYNCCNT1
SCHEMBL24411077 0.92 CCNC (0.58) CCNCCDK8CSF1RFYNCCNT1
SCHEMBL12056766 0.92 CCNC (0.58) CCNCCDK8CSF1RFYNCCNT1
SCHEMBL18286645 0.92 CCNC (0.58) CCNCCDK8CSF1RFYNCCNT1
SCHEMBL5242413 0.92 CCNC (0.72) CCNCCDK8CSF1RFYNCCNT1
SCHEMBL12064805 0.92 CCNC (0.53) CCNCCDK8CSF1RFYNCCNT1
SCHEMBL5242425 0.92 CCNC (0.72) CCNCCDK8CSF1RFYNCCNT1
SCHEMBL12064719 0.91 CSF1R (0.59) CCNCCDK8CSF1RFYNCCNT1
SCHEMBL12064807 0.90 CCNT1 (0.54) CCNCCDK8CSF1RFYNCCNT1
SCHEMBL12056826 0.90 CCNC (0.58) CCNCCDK8CSF1RFYNCCNT1

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-20150098993-A1 COMPOSITIONS, PROCESS OF PREPARATION OF SAID COMPOSITIONS AND METHOD OF TREATING INFLAMMATORY DISEASES CELLWORKS GROUP, INC. 2015-04-09 — — US disclosed
US-20140127295-A1 COMPOSITIONS, PROCESS OF PREPARATION OF SAID COMPOSITIONS AND METHOD OF TREATING INFLAMMATORY DISEASES Cellworks Group, Inc (US) 2014-05-08 — — US disclosed
WO-2012125379-A1 COMPOSITIONS, PROCESS OF PREPARATION OF SAID COMPOSITIONS AND METHOD OF TREATING INFLAMMATORY DISEASES CELLWORKS RESEARCH INDIA PRIVATE LIMITED (IN) 2012-09-20 — — WO 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-20140127295-A1 COMPOSITIONS, PROCESS OF PREPARATION OF SAID COMPOSITIONS AND METHOD OF TREATING INFLAMMATORY DISEASES TNF, C5, C9 CCNC 557/4885CDK8 1220/4885CSF1R 3240/4885
US-20150098993-A1 COMPOSITIONS, PROCESS OF PREPARATION OF SAID COMPOSITIONS AND METHOD OF TREATING INFLAMMATORY DISEASES TNF, C5, IL5 CCNC 401/4885CDK8 1291/4885CSF1R 1396/4885

“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.

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