SCHEMBL29641406

SCHEMBL29641406

CN1CCN(c2ccc(Nc3nc(N4OCC[C@H]4c4ccccc4)c4c(C#N)c[nH]c4n3)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 5/20 0.42
▸ ITK Q08881 3/20 0.42
▸ PIK3CD O00329 1/20 0.41
▸ PRKAB2 O43741 1/20 0.41
▸ NUAK1 O60285 1/20 0.41
▸ CCNT1 O60563 1/20 0.41
▸ ABL1 P00519 1/20 0.41
▸ FYN P06241 1/20 0.41
▸ CDK1 P06493 1/20 0.41
▸ CSF1R P07333 1/20 0.41
▸ RET P07949 1/20 0.41
▸ PDGFRB P09619 1/20 0.41
▸ FGFR1 P11362 1/20 0.41
▸ CDK4 P11802 1/20 0.41
▸ CCNB1 P14635 1/20 0.41
▸ CCNA2 P20248 1/20 0.41
▸ CCND1 P24385 1/20 0.41
▸ CCNE1 P24864 1/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ MARK3 P27448 1/20 0.41

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
SCHEMBL29641325 0.95 PTK2 (0.40) TTKITKPIK3CDPRKAB2NUAK1
SCHEMBL29641355 0.88 BTK (0.48) TTKITKABL1FGFR1CCNA2
SCHEMBL29641431 0.86 ITK (0.43) TTKITKCDK4CCND1JAK3
SCHEMBL29730001 0.85 SLC2A1 (0.50) PIK3CDPRKAB2NUAK1CCNT1ABL1
SCHEMBL29641311 0.83 ALK (0.53) ABL1FYNFLT3BTKEGFR
SCHEMBL29641388 0.82 TTK (0.59) TTKJAK3BTKEGFRJAK2
SCHEMBL29641411 0.82 TTK (0.59) TTKJAK3BTKEGFRJAK2
SCHEMBL29729959 0.81 ALK (0.46) PIK3CDPRKAB2NUAK1CCNT1ABL1
SCHEMBL29641397 0.80 BTK (0.37) ROCK2ROCK1CDC42BPBBTKJAK2
SCHEMBL22689953 0.78 IRAK4 (0.52) JAK3BTKEGFRJAK2PTK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220242870-A1 HETEROCYCLE-FUSED PYRIMIDINE DERIVATIVE AND USE THEREOF VORONOIBIO INC. (KR) 2022-08-04 — — US claimed
EP-3971190-A1 HETEROCYCLE-FUSED PYRIMIDINE DERIVATIVE AND USE THEREOF Voronoi Inc. (KR) 2022-03-23 — — EP claimed
US-20220242870-A1 HETEROCYCLE-FUSED PYRIMIDINE DERIVATIVE AND USE THEREOF VORONOIBIO INC. (KR) 2022-08-04 — — US disclosed
EP-3971190-A1 HETEROCYCLE-FUSED PYRIMIDINE DERIVATIVE AND USE THEREOF Voronoi Inc. (KR) 2022-03-23 — — 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 (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-20220242870-A1 HETEROCYCLE-FUSED PYRIMIDINE DERIVATIVE AND USE THEREOF CDK4, CDK6, CDK16 TTK 34/4885ITK 260/4885PIK3CD 402/4885

“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.

Send feedback