SCHEMBL6535291

SCHEMBL6535291

Clc1ccnc(-c2ncccn2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.44
RPS6KA5 O75582 1/20 0.41
RPS6KA4 O75676 1/20 0.41
GRM5 P41594 3/20 0.36
KDM4E B2RXH2 2/20 0.36
CYP19A1 P11511 3/20 0.35
CCR1 P32246 2/20 0.34
CCR5 P51681 2/20 0.34
CCR8 P51685 2/20 0.34
NR4A2 P43354 1/20 0.34
CYP3A4 P08684 2/20 0.33
TSHR P16473 2/20 0.33
MAPT P10636 2/20 0.33
CYP2A6 P11509 1/20 0.33
GMNN O75496 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
HSP90AA1 P07900 1/20 0.33
MMP2 P08253 1/20 0.33
CYP2D6 P10635 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
Carbon Monoxide SCHEMBL6347389 0.91 TDP1 (0.38) TDP1RPS6KA5RPS6KA4GRM5KDM4E
SCHEMBL6101938 0.81 KDM4E (0.59) TDP1GRM5KDM4ECCR1CCR5
SCHEMBL1673203 0.79 LMNA (0.50) KDM4EMAPTLMNANFKB1HTT
SCHEMBL2016421 0.78 IDH1 (0.41) TDP1GRM5CYP3A4TSHR
SCHEMBL10498737 0.77 TDP1 (0.40) TDP1KDM4ECYP19A1CCR1CCR5
SCHEMBL28483238 0.76 LMNA (0.47) KDM4EMAPTLMNANFKB1HTT
SCHEMBL27783350 0.76 CYP1A2 (0.54) TDP1GRM5CYP19A1CYP3A4TSHR
SCHEMBL2234570 0.75 TDP1 (0.44) TDP1RPS6KA5RPS6KA4KDM4ECCR1
SCHEMBL2132620 0.75 MAPT (0.59) CYP19A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL2650448 0.75 L3MBTL1 (0.49) CYP19A1CYP3A4MAPTLMNACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230019280-A1 SUBSTITUTED ISOINDOLONYL 2,2'-BIPYRIMIDINYL COMPOUNDS, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2023-01-19 US disclosed
US-20210251991-A1 SUBSTITUTED 2,2'-BIPYRIMIDINYL COMPOUNDS, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2021-08-19 US disclosed
US-20210251991-A1 SUBSTITUTED 2,2'-BIPYRIMIDINYL COMPOUNDS, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2021-08-19 US disclosed
WO-2021097075-A1 SUBSTITUTED ISOINDOLONYL 2,2'-BIPYRIMIDINYL COMPOUNDS, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA, INC. (US) 2021-05-20 WO disclosed
EP-3793550-A2 SUBSTITUTED 2,2'-BIPYRIMIDINYL COMPOUNDS, ANALOGUES THEREOF, AND METHODS USING SAME Arbutus Biopharma Corporation (CA) 2021-03-24 EP disclosed
EP-0994834-A4 LIGATED PLATINUM GROUP METAL CATALYST COMPLEX AND IMPROVED PROCESS FOR CATALYTICALLY CONVERTING ALKANES TO ESTERS AND DERIVATIVES THEREOF CATALYTICA INC (US) 2004-12-29 EP disclosed
EP-0994834-A1 LIGATED PLATINUM GROUP METAL CATALYST COMPLEX AND IMPROVED PROCESS FOR CATALYTICALLY CONVERTING ALKANES TO ESTERS AND DERIVATIVES THEREOF CATALYTICA, INC. (US) 2000-04-26 EP disclosed
WO-1998050333-A1 LIGATED PLATINUM GROUP METAL CATALYST COMPLEX AND IMPROVED PROCESS FOR CATALYTICALLY CONVERTING ALKANES TO ESTERS AND DERIVATIVES THEREOF CATALYTICA, INC. (US) 1998-11-12 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-20210251991-A1 SUBSTITUTED 2,2'-BIPYRIMIDINYL COMPOUNDS, ANALOGUES THEREOF, AND METHODS USING SAME HAVCR2, CDV3, HMBS TDP1 2293/4885RPS6KA5 3523/4885RPS6KA4 2613/4885
US-20230019280-A1 SUBSTITUTED ISOINDOLONYL 2,2'-BIPYRIMIDINYL COMPOUNDS, ANALOGUES THEREOF, AND METHODS USING SAME HAVCR2, CDV3, HCCS TDP1 2409/4885RPS6KA5 3629/4885RPS6KA4 2498/4885

“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.