SCHEMBL20133108

SCHEMBL20133108

In1c2ccncc2c2cnc(-c3cccnc3)cc21

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 5/20 0.48
PIM1 P11309 11/20 0.46
PIM2 Q9P1W9 5/20 0.44
PIM3 Q86V86 4/20 0.44
CYP2C19 P33261 3/20 0.43
CYP2E1 P05181 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2B6 P20813 2/20 0.43
CYP3A4 P08684 3/20 0.42
LOXL2 Q9Y4K0 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMO O15229 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CLK4 Q9HAZ1 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
SCHEMBL20133255 0.81 CYP2A6 (0.44) CYP2A6PIM1CYP3A4CYP1A2CLK4
SCHEMBL20133196 0.76 MAPT (0.49) CYP2A6CYP3A4NPC1CYP1A2
SCHEMBL20133195 0.76 CYP2A6 (0.42) CYP2A6CYP3A4NPC1RAB9ACYP1A2
SCHEMBL26789057 0.76 MAOA (0.44) CYP2D6
SCHEMBL22906551 0.74 MAOA (0.41) PIM1CYP2D6
SCHEMBL20132976 0.72 METAP2 (0.43) CYP2A6CYP1A2
SCHEMBL21658134 0.71 MAOA (0.59) PIM1CYP2D6
SCHEMBL20133198 0.71 CYP2A6 (0.46) CYP2A6PIM1CYP3A4CYP1A2CLK4
SCHEMBL20132979 0.70 METAP2 (0.40)
SCHEMBL26433362 0.69 PIM1 (0.46) CYP2A6PIM1PIM2PIM3CYP2C19

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
US-20230183209-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME ARVINAS OPERATIONS, INC. (US) 2023-06-15 US disclosed
US-20200155690-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME ARVINAS OPERATIONS, INC. 2020-05-21 US disclosed
US-20180215731-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME ARVINAS OPERATIONS, INC. 2018-08-02 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 (4 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-20230183209-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME CRBN, CBL, MDM2 CYP2A6 4070/4885PIM1 1450/4885PIM2 1417/4885
US-20180125821-A1 TAU-PROTEIN TARGETING PROTACS AND ASSOCIATED METHODS OF USE CRBN, VHL, UBQLN2 CYP2A6 4674/4885PIM1 1275/4885PIM2 1407/4885
US-20200155690-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME CRBN, CBL, MDM2 CYP2A6 4070/4885PIM1 1450/4885PIM2 1417/4885
US-20180215731-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME CRBN, CBL, MDM2 CYP2A6 4070/4885PIM1 1450/4885PIM2 1417/4885

“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.