SCHEMBL16655549

SCHEMBL16655549

Nc1ncnc2c1c(-c1cc3ccccc3[nH]1)cn2C1Cc2ccccc2C1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RET P07949 8/20 0.61
KDR P35968 7/20 0.61
SRC P12931 7/20 0.50
ABL1 P00519 5/20 0.48
EGFR P00533 5/20 0.48
ABL2 P42684 4/20 0.48
PIKFYVE Q9Y2I7 1/20 0.47
RIPK2 O43353 2/20 0.47
ATR Q13535 1/20 0.45

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
SCHEMBL16655700 0.93 RET (0.56) RETKDRSRCABL1EGFR
SCHEMBL19731250 0.88 RET (0.62) RETKDRSRCABL1EGFR
Hydrochloric Acid SCHEMBL20981729 0.88 RET (0.61) RETKDRSRCABL1EGFR
SCHEMBL16655766 0.85 PIK3CD (0.50) RETKDRSRCABL1EGFR
SCHEMBL16655753 0.85 PIK3CD (0.50) RETKDRSRCABL1EGFR
SCHEMBL16655896 0.82 PIK3CD (0.49) RETKDRSRCABL1EGFR
SCHEMBL16655548 0.81 RET (0.78) RETKDRSRCABL1ATR
Hydrochloric Acid SCHEMBL29588863 0.81 RET (0.54) RETKDRSRCABL1EGFR
SCHEMBL19731453 0.80 FGFR1 (0.70) RETKDREGFR
SCHEMBL29589295 0.80 FGFR1 (0.70) RETKDREGFR

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-20210317140-A1 Heterocyclic Compounds and Methods of Use MEDIVATION TECHNOLOGIES, INC. (US) 2021-10-14 US claimed
EP-3057970-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE Medivation Technologies, Inc. (US) 2016-08-24 EP claimed
WO-2015058084-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2015-04-23 WO claimed
US-20210317140-A1 Heterocyclic Compounds and Methods of Use MEDIVATION TECHNOLOGIES, INC. (US) 2021-10-14 US disclosed
WO-2015058084-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2015-04-23 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-20210317140-A1 Heterocyclic Compounds and Methods of Use BTK, PIK3CD, PIK3CB RET 753/4885KDR 858/4885SRC 92/4885

“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.