SCHEMBL29612903

SCHEMBL29612903

Clc1cnc2cc(Br)ccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
PTGES O14684 4/20 0.43
BACE1 P56817 2/20 0.42
PDGFRB P09619 1/20 0.42
PDGFRA P16234 1/20 0.42
NOS1 P29475 2/20 0.41
METAP2 P50579 2/20 0.41
DYRK1A Q13627 1/20 0.41
BIRC5 O15392 1/20 0.39
KDR P35968 1/20 0.38
NPC1 O15118 1/20 0.37
NR4A2 P43354 1/20 0.37
CSNK2A1 P68400 1/20 0.37
PABPC1 P11940 1/20 0.36
NPM1 P06748 1/20 0.36
ALK Q9UM73 1/20 0.36
CYP2A6 P11509 1/20 0.35
MET P08581 1/20 0.35

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
SCHEMBL4541479 1.00 HTT (0.50) HTTCYP1A2CYP2C19PTGESBACE1
SCHEMBL31468230 0.84 MALT1 (0.42) HTTCYP1A2CYP2C19PTGESBACE1
SCHEMBL7157574 0.81 PDGFRB (0.59) CYP1A2PDGFRBPDGFRANOS1DYRK1A
SCHEMBL30702581 0.81 PDGFRB (0.59) CYP1A2PDGFRBPDGFRANOS1DYRK1A
SCHEMBL10688343 0.76 PDGFRB (0.54) HTTCYP1A2CYP2C19BACE1PDGFRB
SCHEMBL14908778 0.76 HTT (0.54) HTTPDGFRBPDGFRAKDRNPC1
SCHEMBL4534377 0.76 CYP1A2 (0.50) HTTCYP1A2CYP2C19PTGESBACE1
SCHEMBL18554573 0.76 ESR2 (0.59) PDGFRBPDGFRANR4A2
SCHEMBL4539841 0.76 KDM4E (0.52) HTTCYP1A2CYP2C19BACE1NOS1
SCHEMBL8268977 0.76 ALDH1A1 (0.50) CYP1A2BACE1PDGFRBPDGFRAPABPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12145961-B2 Spirobicyclic analogues JANSSEN PHARMACEUTICA NV (BE) 2024-11-19 US disclosed
US-11883367-B2 6-6 bicyclic aromatic ring substituted nucleoside analogues for use as PRMT5 inhibitors JANSSEN PHARMACEUTICA NV (BE) 2024-01-30 US disclosed
US-20230303612-A1 Novel Spirobicyclic Analogues JANSSEN PHARMACEUTICA NV (BE) 2023-09-28 US disclosed
US-11702441-B2 Spirobicyclic analogues JANSSEN PHARMACEUTICA NV (BE) 2023-07-18 US disclosed
US-20230071711-A1 NOVEL 6-6 BICYCLIC AROMATIC RING SUBSTITUTED NUCLEOSIDE ANALOGUES FOR USE AS PRMT5 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2023-03-09 US disclosed
US-11318157-B2 6-6 bicyclic aromatic ring substituted nucleoside analogues for use as PRMT5 inhibitors JANSSEN PHARMACEUTICA NV (BE) 2022-05-03 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 (6 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-11318157-B2 6-6 bicyclic aromatic ring substituted nucleoside analogues for use as PRMT5 inhibitors PRMT5, PRMT6, PRMT1 HTT 3019/4885CYP1A2 3501/4885CYP2C19 4303/4885
US-20230071711-A1 NOVEL 6-6 BICYCLIC AROMATIC RING SUBSTITUTED NUCLEOSIDE ANALOGUES FOR USE AS PRMT5 INHIBITORS PRMT5, PRMT6, PRMT1 HTT 3861/4885CYP1A2 2522/4885CYP2C19 2305/4885
US-11883367-B2 6-6 bicyclic aromatic ring substituted nucleoside analogues for use as PRMT5 inhibitors PRMT5, PRMT6, PRMT1 HTT 3943/4885CYP1A2 2244/4885CYP2C19 1987/4885
US-20230303612-A1 Novel Spirobicyclic Analogues PRMT5, SIRT5, HDAC5 HTT 4633/4885CYP1A2 3177/4885CYP2C19 3040/4885
US-11702441-B2 Spirobicyclic analogues PRMT5, HDAC5, SIRT5 HTT 4558/4885CYP1A2 2874/4885CYP2C19 3100/4885
US-12145961-B2 Spirobicyclic analogues PRMT5, HDAC5, SIRT5 HTT 4558/4885CYP1A2 2874/4885CYP2C19 3100/4885

“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.