SCHEMBL20133197

SCHEMBL20133197

In1c2cc(-c3cccnc3)ccc2c2ncccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CYP11B2 P19099 5/20 0.42
CYP11B1 P15538 4/20 0.42
CYP19A1 P11511 2/20 0.42
CYP17A1 P05093 1/20 0.42
CYP2A6 P11509 3/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CHEK1 O14757 1/20 0.41
LIMK1 P53667 1/20 0.41
PIK3CA P42336 1/20 0.40
METAP2 P50579 1/20 0.40
QPCT Q16769 1/20 0.40
QPCTL Q9NXS2 1/20 0.40
MEN1 O00255 1/20 0.40
PSIP1 O75475 1/20 0.40

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
SCHEMBL20133198 0.81 CYP2A6 (0.46) CYP11B2CYP11B1CYP19A1CYP17A1CYP2A6
SCHEMBL20133194 0.81 METAP2 (0.45) CYP11B2CYP11B1CYP19A1CYP17A1CYP2A6
SCHEMBL20133255 0.80 CYP2A6 (0.44) CYP11B2CYP11B1CYP19A1CYP17A1CYP2A6
SCHEMBL20133195 0.75 CYP2A6 (0.42) L3MBTL1KDM4ENPC1RAB9ACYP11B2
SCHEMBL26788955 0.73 KDM4E (0.43) L3MBTL1KDM4ENPC1RAB9AALDH1A1
SCHEMBL20033223 0.73 CYP11B2 (0.46) L3MBTL1KDM4ENPC1RAB9ACYP11B2
SCHEMBL11965548 0.72 PIK3CA (0.40) L3MBTL1KDM4ENPC1RAB9ACYP11B2
SCHEMBL13471319 0.71 GRM5 (0.40) L3MBTL1KDM4ENPC1RAB9ACYP11B2
SCHEMBL21168109 0.71 HSP90AA1 (0.44) L3MBTL1KDM4ENPC1RAB9AALDH1A1
SCHEMBL19412590 0.70 L3MBTL1 (0.41) L3MBTL1KDM4ENPC1RAB9ACYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200155690-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME ARVINAS OPERATIONS, INC. 2020-05-21 US disclosed
US-20180125821-A1 TAU-PROTEIN TARGETING PROTACS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. 2018-05-10 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 (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-20180125821-A1 TAU-PROTEIN TARGETING PROTACS AND ASSOCIATED METHODS OF USE CRBN, VHL, UBQLN2 L3MBTL1 1300/4885KDM4E 1212/4885NPC1 3216/4885
US-20200155690-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME CRBN, CBL, MDM2 L3MBTL1 1152/4885KDM4E 1613/4885NPC1 3571/4885

“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.