SCHEMBL11986999

SCHEMBL11986999

COC(=O)C(C)C(CC(=O)c1ccc(N)cc1)C(=O)OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ KMT2A Q03164 2/20 0.46
▸ ADRB2 P07550 2/20 0.46
▸ ADRB1 P08588 2/20 0.46
▸ ADRB3 P13945 2/20 0.46
▸ SCN1A P35498 1/20 0.43
▸ SCN2A Q99250 1/20 0.43
▸ SCN3A Q9NY46 1/20 0.43
▸ LMNA P02545 2/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ MAOA P21397 1/20 0.42
▸ CYP2C9 P11712 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ PDE4D Q08499 1/20 0.39
▸ PHLPP2 Q6ZVD8 1/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.37

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
SCHEMBL11987000 0.76 POLB (0.44) L3MBTL1KMT2AADRB2ADRB1ADRB3
SCHEMBL28256540 0.75 ALDH1A1 (0.49) L3MBTL1KMT2AADRB2ADRB1ADRB3
SCHEMBL9806762 0.73 ADRB2 (0.47) L3MBTL1KMT2AADRB2ADRB1ADRB3
SCHEMBL1747972 0.71 KMT2A (0.52) L3MBTL1KMT2AADRB2ADRB1ADRB3
SCHEMBL5068457 0.71 KMT2A (0.52) L3MBTL1KMT2AADRB2ADRB1ADRB3
SCHEMBL8381423 0.70 POLB (0.47) L3MBTL1KMT2AADRB2ADRB1ADRB3
SCHEMBL4277222 0.69 SLC6A3 (0.43) L3MBTL1KMT2AADRB2ADRB1ADRB3
SCHEMBL11651911 0.69 TSHR (0.39) KMT2ATSHRRAB9AMAPTHSD17B10
SCHEMBL14571476 0.69 KMT2A (0.68) L3MBTL1KMT2ALMNATSHRNPC1
SCHEMBL11365527 0.68 MAPT (0.56) KMT2ALMNACYP1A2CYP3A4MAOA

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-8247422-B2 Use of condensed pyrimidine derivatives for the treatment of rheumatoid arthritis STOICESCU DAN (CH) 2012-08-21 — — US disclosed
US-20100160329-A1 USE OF CONDENSED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISEASES STOICESCU DAN 2010-06-24 — — US disclosed
EP-1958632-A1 Use of condensed pyrimidine derivatives for the treatment of autoimmune and inflammatory diseases Stoicescu, Dan (CY) 2008-08-20 — — EP 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-20100160329-A1 USE OF CONDENSED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISEASES CCR8, HRH4, CXCL8 L3MBTL1 3534/4885KMT2A 2040/4885ADRB2 312/4885

“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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