SCHEMBL583300

SCHEMBL583300

CCOC(=O)c1cnc2c(c(C)nn2CC)c1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 1.00
POLB P06746 1/20 0.64
NR3C1 P04150 12/20 0.51
ALDH1A1 P00352 3/20 0.51
MAPT P10636 2/20 0.51
LMNA P02545 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
GPR55 Q9Y2T6 1/20 0.51
KDM4E B2RXH2 2/20 0.47
HPGD P15428 1/20 0.47
PDE4B Q07343 2/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL17963277 0.90 KMT2A (0.82) KMT2APOLBNR3C1ALDH1A1MAPT
SCHEMBL17963303 0.86 KMT2A (0.75) KMT2APOLBNR3C1ALDH1A1MAPT
SCHEMBL17963367 0.86 KMT2A (0.75) KMT2APOLBNR3C1ALDH1A1MAPT
SCHEMBL583418 0.86 KMT2A (0.75) KMT2APOLBNR3C1ALDH1A1MAPT
SCHEMBL11721689 0.86 KMT2A (0.75) KMT2APOLBALDH1A1MAPTLMNA
SCHEMBL11786333 0.85 KMT2A (0.74) KMT2APOLBNR3C1
SCHEMBL11544175 0.85 KMT2A (0.74) KMT2APOLBNR3C1
SCHEMBL20413763 0.85 KMT2A (0.73) KMT2APOLBNR3C1ALDH1A1MAPT
SCHEMBL17963472 0.85 KMT2A (0.73) KMT2ANR3C1
SCHEMBL11883107 0.85 KMT2A (0.73) KMT2APOLBALDH1A1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10272074-B2 Inhibitors of glucocorticoid receptor translocation Sanford Burnham Prebys Medical Discovery Institute (US) 2019-04-30 US disclosed
US-20180207140-A1 Pyrazolopyrimidines as Inhibitors of Glucocorticoid Receptor Translocation Sanford Burnham Prebys Medical Discovery Institute 2018-07-26 US disclosed
US-8420666-B2 Pyrazolo (3, 4-B) pyridine derivatives as phosphodiesterase inhibitors RANBAXY LABORATORIES LIMITED (IN) 2013-04-16 US disclosed
EP-2124944-B1 Pyrazolo[3,4-b]pyridine derivatives as phosphodiesterase inhibitors RANBAXY LAB LTD (IN) 2012-02-15 EP disclosed
US-20110130403-A1 PYRAZOLO [3, 4-B] PYRIDINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2011-06-02 US disclosed
US-20100292196-A1 PYRAZOLO (3, 4-B) PYRIDINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2010-11-18 US disclosed
US-4020072-A PSYCHOTROPIC E. R. SQUIBB & SONS, INC. (US) 1977-04-26 US disclosed
US-3983128-A CNS DEPRESSANTS, ANTIINFLAMMATORY E. R. SQUIBB & SONS, INC. (US) 1976-09-28 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 (4 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-20180207140-A1 Pyrazolopyrimidines as Inhibitors of Glucocorticoid Receptor Translocation NR3C1, NR3C2, GRK3 KMT2A 3251/4885POLB 2204/4885NR3C1 1/4885
US-20100292196-A1 PYRAZOLO (3, 4-B) PYRIDINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS PDE3B, PDE4A, PDE3A KMT2A 4474/4885POLB 1725/4885NR3C1 519/4885
US-10272074-B2 Inhibitors of glucocorticoid receptor translocation NR3C1, NR3C2, GRK3 KMT2A 3527/4885POLB 2683/4885NR3C1 1/4885
US-20110130403-A1 PYRAZOLO [3, 4-B] PYRIDINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS PDE4A, PDE3B, PDE4B KMT2A 4447/4885POLB 1829/4885NR3C1 690/4885

“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.