SCHEMBL30086558

SCHEMBL30086558

COc1cc(Nc2nccc(Nc3ccnc(-c4cccc(C)n4)n3)n2)ccc1N1CCOCC1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 2/20 0.63
▸ TNIK Q9UKE5 6/20 0.51
▸ KCNH2 Q12809 3/20 0.51
▸ MAPK10 P53779 2/20 0.47
▸ CCNT1 O60563 1/20 0.46
▸ CDK9 P50750 1/20 0.46
▸ PLK4 O00444 1/20 0.46
▸ BRD4 O60885 1/20 0.45
▸ MAPK8 P45983 1/20 0.45
▸ MAPK9 P45984 1/20 0.45
▸ JAK2 O60674 4/20 0.45
▸ JAK3 P52333 3/20 0.45
▸ MTOR P42345 1/20 0.45
▸ SMG1 Q96Q15 1/20 0.45
▸ ZAP70 P43403 1/20 0.44
▸ SYK P43405 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
SCHEMBL23906239 1.00 IGF1R (0.63) IGF1RTNIKKCNH2MAPK10CCNT1
SCHEMBL23906917 0.88 JAK2 (0.51) IGF1RMAPK10PLK4MAPK9JAK2
SCHEMBL30086450 0.88 JAK2 (0.51) IGF1RMAPK10PLK4MAPK9JAK2
SCHEMBL30086328 0.85 PLK4 (0.65) IGF1RTNIKMAPK10CCNT1CDK9
SCHEMBL23887678 0.85 PLK4 (0.65) IGF1RTNIKMAPK10CCNT1CDK9
SCHEMBL23906593 0.83 EGFR (0.56) IGF1RZAP70
SCHEMBL30086534 0.83 EGFR (0.56) IGF1RZAP70
SCHEMBL28965387 0.81 EPHB4 (0.53) IGF1RPLK4MAPK8MTOR
SCHEMBL23906708 0.79 JAK2 (0.56) IGF1RKCNH2CCNT1CDK9JAK2
SCHEMBL30086462 0.79 JAK2 (0.56) IGF1RKCNH2CCNT1CDK9JAK2

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
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-20220372015-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP, LLC (US) 2022-11-24 — — US 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 (3 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-20220372015-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE ALK, TYMP, ENTPD5 IGF1R 558/4885TNIK 534/4885KCNH2 4092/4885
US-11673879-B2 Substituted pyrimidines and methods of use ALK, TYMP, ENTPD5 IGF1R 558/4885TNIK 534/4885KCNH2 4092/4885
US-20230399312-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE ALK, TYMP, ENTPD5 IGF1R 558/4885TNIK 534/4885KCNH2 4092/4885

“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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