SCHEMBL23906242

SCHEMBL23906242

CCN1CCN(c2ccc(Nc3nccc(Nc4ccnc(-c5cccc(C)n5)n4)n3)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WEE1 P30291 2/20 0.57
ALK Q9UM73 2/20 0.57
JAK2 O60674 2/20 0.52
EGFR P00533 2/20 0.52
JAK3 P52333 1/20 0.52
IGF1R P08069 2/20 0.48
PLK4 O00444 2/20 0.48
PTK2 Q05397 3/20 0.48
CCNK O75909 1/20 0.47
CCNA2 P20248 1/20 0.47
CDK2 P24941 1/20 0.47
CCND3 P30281 1/20 0.47
CDK9 P50750 1/20 0.47
CDK6 Q00534 1/20 0.47
MITF O75030 1/20 0.46
RAD52 P43351 1/20 0.46
AURKA O14965 1/20 0.44
AURKB Q96GD4 1/20 0.44
NTRK1 P04629 1/20 0.44
KDM1A O60341 1/20 0.44

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
SCHEMBL30086722 1.00 WEE1 (0.57) WEE1ALKJAK2EGFRJAK3
SCHEMBL30086307 0.90 EGFR (0.52) WEE1ALKJAK2EGFRJAK3
SCHEMBL30086702 0.90 JAK2 (0.52) WEE1ALKJAK2EGFRJAK3
SCHEMBL25220850 0.90 EGFR (0.52) WEE1ALKJAK2EGFRJAK3
SCHEMBL23906820 0.90 JAK2 (0.52) WEE1ALKJAK2EGFRJAK3
SCHEMBL30086320 0.90 JAK2 (0.50) WEE1ALKJAK2EGFRJAK3
SCHEMBL23906931 0.90 JAK2 (0.50) WEE1ALKJAK2EGFRJAK3
SCHEMBL30086423 0.89 JAK2 (0.66) WEE1JAK2EGFRJAK3IGF1R
SCHEMBL23906886 0.89 JAK2 (0.66) WEE1JAK2EGFRJAK3IGF1R
SCHEMBL23906627 0.89 JAK2 (0.52) WEE1ALKJAK2EGFRJAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230399312-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP LLC (US) 2023-12-14 US disclosed
US-20230399312-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP LLC (US) 2023-12-14 US disclosed
US-11673879-B2 Substituted pyrimidines and methods of use THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-06-13 US disclosed
US-11673879-B2 Substituted pyrimidines and methods of use THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-06-13 US disclosed
WO-2021203131-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP, LLC (US) 2021-10-07 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-11673879-B2 Substituted pyrimidines and methods of use ALK, TYMP, ENTPD5 WEE1 715/4885ALK 1/4885JAK2 1187/4885
US-20230399312-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE ALK, TYMP, ENTPD5 WEE1 715/4885ALK 1/4885JAK2 1187/4885

“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.