SCHEMBL2260801

SCHEMBL2260801

Cc1cc2cccc(C(=O)C(=O)O)c2o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.46
MAOA P21397 6/20 0.45
MRGPRX1 Q96LB2 1/20 0.43
MAOB P27338 4/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA3 P07451 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
XDH P47989 1/20 0.38
SLC22A12 Q96S37 1/20 0.38
ERAP1 Q9NZ08 1/20 0.37
POLB P06746 1/20 0.37
CYP2C19 P33261 1/20 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
SCHEMBL3306573 0.86 MAOA (0.50) CRBNMAOAMRGPRX1MAOBCA12
SCHEMBL19857573 0.81 LCK (0.50) CRBNMAOAMRGPRX1MAOBHPGD
SCHEMBL28258201 0.79 CRBN (0.54) CRBNMAOAMRGPRX1MAOBERAP1
SCHEMBL3965575 0.79 CRBN (0.48) CRBNMAOAMRGPRX1MAOBCA12
SCHEMBL5003621 0.72 MAOA (0.59) MAOAMAOBCA12CA1CA2
SCHEMBL3832066 0.70 PTPN1 (0.41) MAOAPOLBCYP2C19
SCHEMBL4428324 0.70 MAOB (0.58) MAOAMAOBALDH1A1
SCHEMBL7944303 0.69 POLB (0.48) POLBCYP2C19HPGDALDH1A1LMNA
SCHEMBL29784445 0.69 STING1 (0.47) CRBNMAOAMRGPRX1MAOBPOLB
SCHEMBL3461283 0.69 HPGD (0.53) CRBNMRGPRX1POLBHPGD

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-8058425-B2 Purine derivatives as kinase inhibitors ELI LILLY AND COMPANY (US) 2011-11-15 US disclosed
US-8022065-B2 Purine derivatives as kinase inhibitors ELI LILLY AND COMPANY (US) 2011-09-20 US disclosed
US-20110207721-A1 PURINE DERIVATIVES AS KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2011-08-25 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-20110207721-A1 PURINE DERIVATIVES AS KINASE INHIBITORS PNP, ADK, NME2 CRBN 3335/4885MAOA 3011/4885MRGPRX1 990/4885

“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.