SCHEMBL3970500

SCHEMBL3970500

Cc1c(N)cc(Cc2ccccc2)c(Cc2ccccc2)c1N

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ BCL2 P10415 1/20 0.41
▸ BCL2L1 Q07817 1/20 0.41
▸ HTR2A P28223 1/20 0.39
▸ CALM1 P0DP23 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ ALOX5 P09917 1/20 0.37
▸ CNR2 P34972 1/20 0.36
▸ GPR55 Q9Y2T6 1/20 0.36
▸ LDHA P00338 1/20 0.36
▸ LDHB P07195 1/20 0.36

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
SCHEMBL22188467 0.87 BCL2 (0.42) BCL2BCL2L1HTR2ACALM1CYP3A4
Bicarbonate SCHEMBL22188469 0.81 LDHA (0.43) BCL2BCL2L1CNR2GPR55LDHA
Oxalic Acid SCHEMBL22188503 0.80 LDHA (0.42) BCL2BCL2L1CNR2GPR55LDHA
SCHEMBL10886157 0.80 BCL2 (0.42) BCL2BCL2L1HTR2ACALM1CYP3A4
SCHEMBL28493010 0.80 BCL2 (0.42) BCL2BCL2L1HTR2ACALM1CYP3A4
SCHEMBL31402366 0.80 BCL2 (0.42) BCL2BCL2L1HTR2ACALM1CYP3A4
SCHEMBL7904072 0.79 BCL2 (0.45) BCL2BCL2L1HTR2ACALM1CYP3A4
SCHEMBL10845366 0.78 HTR2A (0.41) BCL2BCL2L1HTR2ACALM1CYP3A4
Malonic Acid SCHEMBL22188497 0.78 PTGDR2 (0.41) BCL2BCL2L1CNR2GPR55LDHA
Maleic Acid SCHEMBL22188519 0.77 HRH1 (0.43) BCL2BCL2L1CYP2D6CYP2C19LDHA

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-1363876-B1 GLUCOCORTICOID RECEPTOR MODULATORS KAROBIO AB (SE) 2009-07-29 — — EP disclosed
US-6583180-B2 Antidiabetic agents ABBOTT LABORATORIES 2003-06-24 — — US disclosed
US-20020156311-A1 Glucocorticoid receptor modulators KARO BIO AB (SE) 2002-10-24 — — 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-20020156311-A1 Glucocorticoid receptor modulators NR3C1, NR5A1, NR3C2 BCL2 4573/4885BCL2L1 4035/4885HTR2A 2362/4885

“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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