SCHEMBL4285576

SCHEMBL4285576

[CH2]c1cnn2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNK O75909 1/20 0.43
CDK12 Q9NYV4 1/20 0.43
DRD3 P35462 7/20 0.42
DRD4 P21917 5/20 0.42
EPHB3 P54753 7/20 0.41
DYRK1A Q13627 1/20 0.41
RIPK2 O43353 1/20 0.40
LCK P06239 1/20 0.40
MAP4K4 O95819 1/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
DRD2 P14416 3/20 0.37
HTR1A P08908 1/20 0.37
DRD1 P21728 1/20 0.37

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
SCHEMBL30980412 0.78 EPHB3 (0.53) CCNKCDK12DRD3DRD4EPHB3
SCHEMBL9934420 0.76 MAP4K4 (0.44) CCNKCDK12DRD3DRD4DYRK1A
SCHEMBL73454 0.74 AXL (0.47) CCNKCDK12DRD3DRD4EPHB3
SCHEMBL19114977 0.74 DRD3 (0.42) CCNKCDK12DRD3DRD4EPHB3
SCHEMBL12456009 0.74 DRD3 (0.42) CCNKCDK12DRD3DRD4EPHB3
SCHEMBL22995014 0.74 EPHB3 (0.50) CCNKCDK12DRD3DRD4EPHB3
SCHEMBL84746 0.74 NPC1 (0.47) CCNKCDK12DRD3DRD4EPHB3
SCHEMBL3485186 0.74 DRD3 (0.47) CCNKCDK12DRD3DRD4EPHB3
SCHEMBL33601 0.74 SMPD3 (0.47) CCNKCDK12DRD3DRD4EPHB3
SCHEMBL1371036 0.74 DRD3 (0.43) CCNKCDK12DRD3DRD4EPHB3

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-20230278958-A1 TRICYCLIC HETEROCYCLES MERCK PATENT GMBH (DE) 2023-09-07 US claimed
US-20230174538-A1 Tricyclic heterocycles MERCK PATENT GMBH (DE) 2023-06-08 US claimed
EP-4334319-A1 2,8-DIHYDROPYRAZOLO[3,4-B]INDOLE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER Merck Patent GmbH (DE) 2024-03-13 EP disclosed
US-20230278958-A1 TRICYCLIC HETEROCYCLES MERCK PATENT GMBH (DE) 2023-09-07 US disclosed
US-20230174538-A1 Tricyclic heterocycles MERCK PATENT GMBH (DE) 2023-06-08 US disclosed
WO-2009152027-A1 5,7-DIHYDRO-6H-PYRROLO[2,3-D]PYRIMIDIN-6-ONE DERIVATIVES FOR MARK INHIBITION MERCK & CO., INC. (US) 2009-12-17 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-20230278958-A1 TRICYCLIC HETEROCYCLES YAP1, TERF2IP, TEAD1 CCNK 177/4885CDK12 364/4885DRD3 4576/4885
US-20230174538-A1 Tricyclic heterocycles YAP1, TEAD1, TERF2IP CCNK 102/4885CDK12 228/4885DRD3 4501/4885

“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.