SCHEMBL17666296

SCHEMBL17666296

Cc1ccc(-c2ccc3ccncc3c2)c(C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 1/20 0.51
ABL1 P00519 3/20 0.49
TDO2 P48775 2/20 0.48
PRKCI P41743 1/20 0.48
CYP11B1 P15538 3/20 0.48
CYP11B2 P19099 3/20 0.48
LCK P06239 1/20 0.47
CSF1R P07333 1/20 0.47
KDR P35968 1/20 0.47
MAPK14 Q16539 1/20 0.47
PIK3CD O00329 2/20 0.47
PIK3CB P42338 2/20 0.47
PIK3CG P48736 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL15849390 0.86 PRKCZ (0.47) PRKCZABL1TDO2PRKCICYP11B1
SCHEMBL16982976 0.86 ABL1 (0.49) PRKCZABL1TDO2PRKCICYP11B1
SCHEMBL27914164 0.83 ABL1 (0.68) PRKCZABL1TDO2PRKCICYP11B1
SCHEMBL23555378 0.82 PRKCZ (0.68) PRKCZABL1TDO2PRKCICYP11B1
SCHEMBL8338092 0.82 PRKCZ (0.68) PRKCZABL1TDO2PRKCICYP11B1
SCHEMBL30824503 0.82 CYP2A6 (0.56) PRKCZTDO2PRKCIF9CYP1A2
SCHEMBL761399 0.82 CYP2A6 (0.56) PRKCZTDO2PRKCIF9CYP1A2
SCHEMBL12310726 0.80 ESR1 (0.45) PRKCZABL1TDO2PRKCICYP11B1
SCHEMBL13615233 0.79 PRKCZ (0.53) PRKCZABL1TDO2CYP11B1CYP11B2
SCHEMBL2887108 0.76 PRKCZ (0.64) PRKCZABL1TDO2PRKCICYP11B1

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-20170002006-A1 MACROCYCLES WITH HETROCYCLIC P2' GROUPS AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-01-05 US disclosed
US-20160368923-A1 PYRIMIDINONES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-12-22 US disclosed
US-9453018-B2 Pyrimidinones as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-09-27 US disclosed
US-20160096839-A1 PYRIMIDINONES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2016-04-07 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-20160368923-A1 PYRIMIDINONES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F2 PRKCZ 1240/4885ABL1 746/4885TDO2 964/4885
US-20170002006-A1 MACROCYCLES WITH HETROCYCLIC P2' GROUPS AS FACTOR XIA INHIBITORS TFPI2, F2, TFPI PRKCZ 898/4885ABL1 1869/4885TDO2 2245/4885
US-20160096839-A1 PYRIMIDINONES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F2 PRKCZ 1240/4885ABL1 746/4885TDO2 964/4885

“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.