SCHEMBL30877776

SCHEMBL30877776

c1cc2c(ccc3c4cnccc4[nH]c23)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.50
CDK4 P11802 2/20 0.49
CCND1 P24385 2/20 0.49
CDC7 O00311 1/20 0.48
MAPT P10636 5/20 0.47
KIF11 P52732 2/20 0.46
PARP1 P09874 1/20 0.45
PDE3B Q13370 1/20 0.44
PDE3A Q14432 1/20 0.44
DYRK1A Q13627 3/20 0.43
CDK5 Q00535 2/20 0.43
CDK5R1 Q15078 1/20 0.43
MAPK1 P28482 2/20 0.43
AURKA O14965 2/20 0.43
PIM1 P11309 2/20 0.43
DAPK3 O43293 1/20 0.43
JAK2 O60674 1/20 0.43
ROCK2 O75116 1/20 0.43
CHEK2 O96017 1/20 0.43
CDK1 P06493 1/20 0.43

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
SCHEMBL25679865 0.76 KIF11 (0.66) ACHECDK4CCND1MAPTKIF11
SCHEMBL972999 0.76 ACHE (0.78) ACHEMAPTKIF11PARP1AURKA
SCHEMBL29642993 0.76 ACHE (0.78) ACHEMAPTKIF11PARP1AURKA
SCHEMBL29478498 0.72 CHUK (0.73) ACHEMAPTKIF11PARP1AURKA
SCHEMBL12590220 0.72 CHUK (0.73) ACHEMAPTKIF11PARP1AURKA
SCHEMBL27199799 0.71 ACHE (0.50) ACHECDK4CCND1MAPTKIF11
SCHEMBL445595 0.71 IMPDH2 (0.58) CDK4CCND1CDC7PDE3BPDE3A
SCHEMBL23098918 0.70 ACHE (0.58) ACHECDK4CCND1MAPTKIF11
SCHEMBL13100680 0.70 KIF11 (0.62) ACHEMAPTKIF11PARP1MAPK1
SCHEMBL15133570 0.69 PARP1 (0.55) ACHECDK4CCND1MAPTPARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4608401-A2 MK2 INHIBITORS AND USES THEREOF Bristol-Myers Squibb Company (US) 2025-09-03 EP disclosed
US-20240190890-A1 MK2 INHIBITORS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2024-06-13 US disclosed
WO-2024092115-A2 MK2 INHIBITORS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2024-05-02 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 (1 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-20240190890-A1 MK2 INHIBITORS AND USES THEREOF MKNK2, CSNK1G2, CSNK2A2 ACHE 3609/4885CDK4 233/4885CCND1 1858/4885

“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.