SCHEMBL17936065

SCHEMBL17936065

CCn1nc(C#Cc2cc(C(=O)Nc3ccc(CN4CCN(C)CC4)c(C(F)(F)F)c3)ccc2Cl)c2c(N)ncnc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 20/20 1.00
▸ NTRK1 P04629 2/20 0.87
▸ EPHA2 P29317 2/20 0.87
▸ BMX P51813 2/20 0.87
▸ EPHB4 P54760 2/20 0.87
▸ IKBKB O14920 1/20 0.87
▸ CHUK O15111 1/20 0.87
▸ MAP3K7 O43318 1/20 0.87
▸ JAK2 O60674 1/20 0.87
▸ ABL1 P00519 1/20 0.87
▸ EGFR P00533 1/20 0.87
▸ RAF1 P04049 1/20 0.87
▸ FYN P06241 1/20 0.87
▸ YES1 P07947 1/20 0.87
▸ BCR P11274 1/20 0.87
▸ FGFR1 P11362 1/20 0.87
▸ BRAF P15056 1/20 0.87
▸ PDGFRA P16234 1/20 0.87
▸ EPHB2 P29323 1/20 0.87
▸ AXL P30530 1/20 0.87

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
SCHEMBL17935962 0.94 SRC (1.00) SRCNTRK1EPHA2BMXEPHB4
SCHEMBL17935959 0.93 SRC (1.00) SRCNTRK1EPHA2BMXEPHB4
SCHEMBL17936037 0.93 SRC (1.00) SRCNTRK1EPHA2BMXEPHB4
SCHEMBL17936074 0.93 SRC (0.90) SRCNTRK1EPHA2BMXEPHB4
SCHEMBL17936063 0.91 SRC (1.00) SRCNTRK1EPHA2BMXEPHB4
SCHEMBL17936051 0.91 SRC (1.00) SRCNTRK1EPHA2BMXEPHB4
SCHEMBL17935967 0.90 SRC (1.00) SRCNTRK1EPHA2BMXEPHB4
SCHEMBL17936123 0.90 SRC (0.95) SRCNTRK1EPHA2BMXEPHB4
SCHEMBL17936076 0.88 SRC (1.00) SRCNTRK1EPHA2BMXEPHB4
SCHEMBL17935966 0.86 SRC (1.00) SRCNTRK1EPHA2BMXEPHB4

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-10266537-B2 3-acetylenyl-pyrazole-pyrimidine derivative, and preparation method therefor and uses thereof St. Chuan University (CN) 2019-04-23 — — US disclosed
US-20170305920-A1 3-ACETYLENYL-PYRAZOLE-PYRIMIDINE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USES THEREOF SI CHUAN UNIVERSITY (CN) 2017-10-26 — — US disclosed
US-20170305920-A1 3-ACETYLENYL-PYRAZOLE-PYRIMIDINE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USES THEREOF SI CHUAN UNIVERSITY (CN) 2017-10-26 — — US disclosed
WO-2016112846-A1 3-ACETYLENYL-PYRAZOLE-PYRIMIDINE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USES THEREOF 四川大学 2016-07-21 — — 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-20170305920-A1 3-ACETYLENYL-PYRAZOLE-PYRIMIDINE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USES THEREOF DPYD, TYMP, WEE1 SRC 1111/4885NTRK1 3602/4885EPHA2 4098/4885
US-10266537-B2 3-acetylenyl-pyrazole-pyrimidine derivative, and preparation method therefor and uses thereof DPYD, TYMP, WEE1 SRC 1111/4885NTRK1 3602/4885EPHA2 4098/4885

“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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