SCHEMBL30086282

SCHEMBL30086282

CN1CCN(C2CCN(c3ccc(Nc4nccc(Nc5ccnc(-c6cc(Cl)ccc6F)n5)n4)cc3)CC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 5/20 0.51
▸ EGFR P00533 4/20 0.51
▸ JAK3 P52333 2/20 0.51
▸ BRD4 O60885 1/20 0.51
▸ EIF2AK2 P19525 1/20 0.46
▸ PDGFRB P09619 1/20 0.45
▸ PDGFRA P16234 1/20 0.45
▸ IGF1R P08069 4/20 0.44
▸ INSR P06213 1/20 0.43
▸ ALK Q9UM73 1/20 0.43
▸ PLK1 P53350 1/20 0.43
▸ RAD52 P43351 1/20 0.43
▸ GFER P55789 1/20 0.43
▸ CDK4 P11802 1/20 0.42
▸ CCND1 P24385 1/20 0.42
▸ CDK6 Q00534 1/20 0.42
▸ AURKA O14965 1/20 0.42
▸ AURKB Q96GD4 1/20 0.42
▸ PLK4 O00444 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
SCHEMBL23906621 1.00 JAK2 (0.51) JAK2EGFRJAK3BRD4EIF2AK2
SCHEMBL23906723 0.93 IGF1R (0.46) JAK2EGFRJAK3BRD4IGF1R
SCHEMBL30086424 0.93 IGF1R (0.46) JAK2EGFRJAK3BRD4IGF1R
SCHEMBL30086559 0.92 BRD4 (0.51) JAK2EGFRJAK3BRD4PDGFRB
SCHEMBL23906605 0.92 BRD4 (0.51) JAK2EGFRJAK3BRD4PDGFRB
SCHEMBL23906262 0.90 EGFR (0.51) JAK2EGFRJAK3BRD4PDGFRB
SCHEMBL30086709 0.90 EGFR (0.51) JAK2EGFRJAK3BRD4PDGFRB
SCHEMBL23906843 0.86 IGF1R (0.46) JAK2EGFRJAK3BRD4EIF2AK2
SCHEMBL30086287 0.86 IGF1R (0.46) JAK2EGFRJAK3BRD4EIF2AK2
SCHEMBL23906724 0.85 JAK2 (0.48) JAK2EGFRJAK3BRD4IGF1R

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 JAK2 1187/4885EGFR 545/4885JAK3 1474/4885
US-11673879-B2 Substituted pyrimidines and methods of use ALK, TYMP, ENTPD5 JAK2 1187/4885EGFR 545/4885JAK3 1474/4885
US-20230399312-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE ALK, TYMP, ENTPD5 JAK2 1187/4885EGFR 545/4885JAK3 1474/4885

“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