SCHEMBL16012041

SCHEMBL16012041

COCCOc1ccc(Nc2nc(Cl)ncc2N)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 3/20 0.44
▸ PIK3CA P42336 2/20 0.43
▸ EGFR P00533 4/20 0.42
▸ ITK Q08881 2/20 0.42
▸ BRAF P15056 1/20 0.42
▸ CDK4 P11802 1/20 0.42
▸ CCND1 P24385 1/20 0.42
▸ CCND2 P30279 1/20 0.42
▸ CCND3 P30281 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ JAK2 O60674 2/20 0.40
▸ BTK Q06187 5/20 0.40
▸ LYN P07948 1/20 0.40
▸ TEC P42680 1/20 0.40
▸ TXK P42681 1/20 0.40
▸ BMX P51813 1/20 0.40
▸ JAK3 P52333 1/20 0.40

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
SCHEMBL16246107 0.86 MEN1 (0.41) SYKEGFRKDM4ENFKB1MEN1
SCHEMBL15147773 0.85 MAPT (0.53) SYKEGFRKDM4EMEN1KMT2A
SCHEMBL16012129 0.84 SYK (0.44) SYKPIK3CAEGFRITKKDM4E
SCHEMBL17827716 0.81 SYK (0.57) SYKKDM4ENFKB1MEN1KMT2A
SCHEMBL18869374 0.81 JAK2 (0.44) MEN1KMT2AJAK2
SCHEMBL16012272 0.80 PIN1 (0.62) SYKEGFRITKCDK4CCND1
SCHEMBL16245559 0.79 CYSLTR2 (0.44) SYKKDM4E
SCHEMBL16245555 0.78 P2RX3 (0.44) SYKKDM4E
SCHEMBL16264851 0.78 MEN1 (0.45) EGFRKDM4EMEN1KMT2AJAK2
SCHEMBL6507541 0.77 ADORA3 (0.46) EGFRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9855268-B2 Triazolo[4,5-d]pyrimidine derivatives MERCK PATENT GMBH (DE) 2018-01-02 — — US disclosed
US-9855268-B2 Triazolo[4,5-d]pyrimidine derivatives MERCK PATENT GMBH (DE) 2018-01-02 — — US disclosed
EP-2964649-B1 TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF DISEASES SUCH AS CANCER MERCK PATENT GMBH (DE) 2017-05-10 — — EP disclosed
EP-2964649-B1 TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF DISEASES SUCH AS CANCER MERCK PATENT GMBH (DE) 2017-05-10 — — EP disclosed
US-20160015712-A1 Triazolo[4,5-d]pyrimidine derivatives MERCK PATENT GMBH (DE) 2016-01-21 — — US disclosed
US-20160015712-A1 Triazolo[4,5-d]pyrimidine derivatives MERCK PATENT GMBH (DE) 2016-01-21 — — US disclosed
US-20160015712-A1 Triazolo[4,5-d]pyrimidine derivatives MERCK PATENT GMBH (DE) 2016-01-21 — — US disclosed
EP-2964649-A1 TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF DISEASES SUCH AS CANCER Merck Patent GmbH (DE) 2016-01-13 — — EP disclosed
WO-2014135244-A1 TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF DISEASES SUCH AS CANCER MERCK PATENT GMBH (DE) 2014-09-12 — — 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 (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-20160015712-A1 Triazolo[4,5-d]pyrimidine derivatives EIF2AK4, GCN1, GTF2I SYK 4607/4885PIK3CA 1109/4885EGFR 3108/4885

“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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