SCHEMBL3607560

SCHEMBL3607560

COC(=O)c1cccc(-c2cc(-c3nnn(C)n3)c(-c3cccc(C(=O)OC)c3)s2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.44
PDE7A Q13946 1/20 0.44
GRM5 P41594 3/20 0.44
IL2 P60568 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
DHODH Q02127 1/20 0.40
KIFC1 Q9BW19 1/20 0.40
CNR1 P21554 1/20 0.40
MGLL Q99685 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
HPGD P15428 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
TP53 P04637 1/20 0.38
HSD17B1 P14061 1/20 0.38

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
SCHEMBL3605066 0.88 NPC1 (0.44) PDE4DPDE7AKIFC1TRPM8HSD17B1
SCHEMBL3597248 0.82 HSD17B1 (0.59) TRPM8HSD17B1HSD17B2PDK2
SCHEMBL3601696 0.77 TRPM8 (0.41) PDE4DPDE7ATRPM8HPGD
SCHEMBL3605751 0.76 SMN1; SMN2 (0.43) KIFC1HPGDCA12CA1CA2
SCHEMBL3606649 0.76 IKBKB (0.56) TRPM8HPGDTP53NPC1RAB9A
SCHEMBL3606449 0.76 MAPK8 (0.43) TRPM8HPGDNPC1RAB9A
SCHEMBL3601669 0.75 MAPK1 (0.50) TRPM8HPGDNPC1RAB9A
SCHEMBL3609885 0.75 ESR1 (0.56) TRPM8HSD17B1HSD17B2PDK2NPC1
SCHEMBL3609666 0.74 TRPM8 (0.47) TRPM8PDK2NPC1RAB9A
SCHEMBL3605195 0.72 TRPM8 (0.55) TRPM8PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4373822-A2 COMPOSITIONS AND METHODS FOR INHIBITION OF RAS Theras Inc. (US) 2024-05-29 EP disclosed
WO-2024030633-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF KRAS THERAS, INC. (US) 2024-02-08 WO disclosed
WO-2023004102-A2 COMPOSITIONS AND METHODS FOR INHIBITION OF RAS THERAS, INC. (US) 2023-01-26 WO disclosed
US-20220289732-A1 HETEROCYCLIC WDR5 INHIBITORS AS ANTI-CANCER COMPOUNDS NOVARTIS AG (CH) 2022-09-15 US disclosed
EP-4010334-A1 HETEROCYCLIC WDR5 INHIBITORS AS ANTI-CANCER COMPOUNDS Novartis AG (CH) 2022-06-15 EP disclosed
WO-2021028806-A1 HETEROCYCLIC WDR5 INHIBITORS AS ANTI-CANCER COMPOUNDS NOVARTIS AG (CH) 2021-02-18 WO disclosed
US-8835476-B2 Synthesis of novel antimicrobials WU FAN (CA) 2014-09-16 US disclosed
EP-1553074-B1 FUSED BENZENE DERIVATIVE AND USE TAKEDA PHARMACEUTICAL (JP) 2014-06-18 EP disclosed
US-20100076028-A1 Design and Synthesis of Novel Antimicrobials WU FAN 2010-03-25 US disclosed
US-7649001-B2 Fused benzene derivative and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-19 US disclosed
WO-2006092059-A1 DESIGN AND SYNTHESIS OF NOVEL ANTIMICROBIALS WU FAN (CA) 2006-09-08 WO disclosed
US-20060106067-A1 Fused benzene derivative and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-05-18 US disclosed
EP-1553074-A1 FUSED BENZENE DERIVATIVE AND USE Takeda Pharmaceutical Company Limited (JP) 2005-07-13 EP 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 (3 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-20060106067-A1 Fused benzene derivative and use AR, NR5A1, CBR3 PDE4D 2166/4885PDE7A 3779/4885GRM5 432/4885
US-20100076028-A1 Design and Synthesis of Novel Antimicrobials MLX, LPXN, TPX2 PDE4D 1280/4885PDE7A 595/4885GRM5 4385/4885
US-20220289732-A1 HETEROCYCLIC WDR5 INHIBITORS AS ANTI-CANCER COMPOUNDS WDR5, WDR77, WDR1 PDE4D 4081/4885PDE7A 3873/4885GRM5 742/4885

“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.