SCHEMBL19980425

SCHEMBL19980425

Brc1ccc2c3c(cccc13)C1(c3ccccc3-c3ccccc31)c1cccnc1-2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.48
CYP1B1 Q16678 11/20 0.41
PDK2 Q15119 2/20 0.38
KMT2A Q03164 2/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 1/20 0.36
PTPRC P08575 2/20 0.34
CTSL P07711 1/20 0.34
CTSS P25774 1/20 0.34
PTPN13 Q12923 1/20 0.34
TDP2 O95551 2/20 0.34
MEN1 O00255 1/20 0.34
APAF1 O14727 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
NSD2 O96028 1/20 0.33

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
SCHEMBL19980414 0.84 CYP1A2 (0.47) CYP1A2CYP1B1KMT2AMEN1ALDH1A1
SCHEMBL30343464 0.84 CYP1A2 (0.47) CYP1A2CYP1B1KMT2AMEN1ALDH1A1
SCHEMBL19980421 0.84 CYP1A2 (0.41) CYP1A2CYP1B1KMT2AHTTTDP2
SCHEMBL21110617 0.81 PDK2 (0.40) CYP1A2PDK2KMT2ACYP2C19
SCHEMBL19980438 0.80 PDK2 (0.43) CYP1A2PDK2KMT2ACYP2C19HTT
SCHEMBL19980422 0.78 CYP1A2 (0.41) CYP1A2CYP1B1
SCHEMBL30322608 0.77 PDK2 (0.56) CYP1A2PDK2KMT2ACYP2C19PTPRC
SCHEMBL11990868 0.77 PDK2 (0.56) CYP1A2PDK2KMT2ACYP2C19PTPRC
SCHEMBL16547425 0.76 PDK2 (0.39) CYP1A2PDK2KMT2ACYP2C19PTPRC
SCHEMBL32682807 0.75 PDK2 (0.49) CYP1A2PDK2KMT2ACYP2C19PTPRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3512841-B1 COMPOUNDS WITH SPIROBIFLUORENE-STRUCTURES MERCK PATENT GMBH (DE) 2023-04-26 EP disclosed
US-11447464-B2 Compounds with spirobifluorene-structures MERCK PATENT GMBH (DE) 2022-09-20 US disclosed
US-20190194164-A1 COMPOUNDS WITH SPIROBIFLUORENE-STRUCTURES MERCK PATENT GMBH (DE) 2019-06-27 US disclosed
WO-2018050584-A1 COMPOUNDS WITH SPIROBIFLUORENE-STRUCTURES MERCK PATENT GMBH (DE) 2018-03-22 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-11447464-B2 Compounds with spirobifluorene-structures SLCO1B3, SLCO4C1, SLCO1B1 CYP1A2 787/4885CYP1B1 880/4885PDK2 835/4885
US-20190194164-A1 COMPOUNDS WITH SPIROBIFLUORENE-STRUCTURES SLCO1B3, SLCO4C1, SLCO1B1 CYP1A2 787/4885CYP1B1 880/4885PDK2 835/4885

“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.