SCHEMBL29641431

SCHEMBL29641431

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITK Q08881 6/20 0.43
▸ TTK P33981 3/20 0.41
▸ EGFR P00533 4/20 0.40
▸ CDK4 P11802 1/20 0.40
▸ CCND1 P24385 1/20 0.40
▸ PTK2 Q05397 1/20 0.39
▸ JAK3 P52333 3/20 0.39
▸ BTK Q06187 2/20 0.39
▸ ERBB3 P21860 1/20 0.39
▸ CTSC P53634 2/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ ERBB2 P04626 1/20 0.38
▸ MET P08581 1/20 0.38
▸ KIT P10721 1/20 0.38
▸ SRC P12931 1/20 0.38
▸ PRKCA P17252 1/20 0.38
▸ JAK1 P23458 1/20 0.38
▸ TYK2 P29597 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ MAPK9 P45984 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
SCHEMBL29641355 0.88 BTK (0.48) ITKTTKEGFRJAK3BTK
SCHEMBL29641406 0.86 TTK (0.42) ITKTTKEGFRCDK4CCND1
SCHEMBL29729815 0.85 CDK4 (0.50) EGFRCDK4CCND1PTK2JAK3
SCHEMBL29641411 0.82 TTK (0.59) TTKEGFRPTK2JAK3BTK
SCHEMBL29641388 0.82 TTK (0.59) TTKEGFRPTK2JAK3BTK
SCHEMBL29641325 0.81 PTK2 (0.40) ITKTTKCDK4CCND1PTK2
SCHEMBL29729618 0.81 FGFR1 (0.48) EGFRCDK4CCND1PTK2JAK3
SCHEMBL29729670 0.81 FGFR1 (0.45) EGFRCDK4CCND1PTK2JAK3
SCHEMBL29641322 0.80 WEE1 (0.40) PTK2JAK3BTKJAK2
SCHEMBL22689949 0.78 IRAK4 (0.52) EGFRPTK2JAK3BTKERBB3

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 ITK 260/4885TTK 34/4885EGFR 1516/4885

“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.

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