SCHEMBL863295

SCHEMBL863295

Nc1ncnc2c1c(Oc1cccc(Cl)c1)nn2C1CCCC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1A1 P48729 1/20 0.60
CSNK1D P48730 1/20 0.60
CSNK1E P49674 1/20 0.60
RET P07949 3/20 0.57
LCK P06239 3/20 0.56
BTK Q06187 2/20 0.56
LYN P07948 1/20 0.56
PIK3CD O00329 11/20 0.52
PIK3CA P42336 11/20 0.52
PIK3CB P42338 11/20 0.52
PIK3CG P48736 11/20 0.52
PRKDC P78527 11/20 0.52
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
KDR P35968 13/20 0.50
ABL1 P00519 10/20 0.50
EGFR P00533 10/20 0.50

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
SCHEMBL13019968 0.98 CSNK1A1 (0.60) CSNK1A1CSNK1DCSNK1ERETLCK
SCHEMBL23259873 0.96 CSNK1A1 (0.62) CSNK1A1CSNK1DCSNK1ERETLCK
SCHEMBL13020257 0.91 CSNK1A1 (0.57) CSNK1A1CSNK1DCSNK1ERETLCK
SCHEMBL13020335 0.90 BTK (0.59) CSNK1A1CSNK1DCSNK1ERETLCK
SCHEMBL13020219 0.88 CSNK1A1 (0.54) CSNK1A1CSNK1DCSNK1ERETLCK
SCHEMBL17090620 0.88 LCK (0.69) RETLCKBTKLYNPIK3CD
SCHEMBL20754258 0.88 CYP1A2 (0.58) CSNK1A1CSNK1DCSNK1ERETLCK
SCHEMBL864157 0.87 BTK (0.56) LCKBTKLYNPIK3CDPIK3CA
SCHEMBL864640 0.87 BTK (0.56) LCKBTKLYNPIK3CDPIK3CA
SCHEMBL863581 0.87 ABL1 (0.57) RETLCKBTKLYNPIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077827-A1 ZAP-70 ACTIVE COMPOUNDS PLEXXIKON, INC. 2012-03-29 US claimed
US-8642606-B2 ZAP-70 active compounds PLEXXIKON INC. (US) 2014-02-04 US disclosed
US-8642606-B2 ZAP-70 active compounds PLEXXIKON INC. (US) 2014-02-04 US disclosed
US-8642606-B2 ZAP-70 active compounds PLEXXIKON INC. (US) 2014-02-04 US disclosed
US-20120077827-A1 ZAP-70 ACTIVE COMPOUNDS PLEXXIKON, INC. 2012-03-29 US disclosed
US-20120077827-A1 ZAP-70 ACTIVE COMPOUNDS PLEXXIKON, INC. 2012-03-29 US disclosed
US-20120077827-A1 ZAP-70 ACTIVE COMPOUNDS PLEXXIKON, INC. 2012-03-29 US disclosed
US-20100331297-A1 MODULATION OF PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2010-12-30 US disclosed
US-20100331297-A1 MODULATION OF PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2010-12-30 US disclosed
US-20100331297-A1 MODULATION OF PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2010-12-30 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 (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-20120077827-A1 ZAP-70 ACTIVE COMPOUNDS ZAP70, PRKCZ, PRKDC CSNK1A1 27/4885CSNK1D 59/4885CSNK1E 26/4885
US-20100331297-A1 MODULATION OF PROTEIN TRAFFICKING RAB1A, COPB1, GOLT1B CSNK1A1 405/4885CSNK1D 931/4885CSNK1E 470/4885

“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.