SCHEMBL16814799

SCHEMBL16814799

COc1ccc(-c2ccc3nc4n(c3c2)C(c2ccccc2)CC4)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.44
ATM Q13315 5/20 0.42
PIK3CA P42336 4/20 0.42
MTOR P42345 3/20 0.42
ATR Q13535 3/20 0.42
SCD O00767 1/20 0.42
SCD5 Q86SK9 1/20 0.42
PIK3CD O00329 2/20 0.40
PIP5K1C O60331 1/20 0.40
PIK3CB P42338 1/20 0.40
PI4KA P42356 1/20 0.40
PIK3CG P48736 1/20 0.40
PI4KB Q9UBF8 1/20 0.40
TNF P01375 2/20 0.40
USP30 Q70CQ3 1/20 0.40
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 1/20 0.39
BRD4 O60885 1/20 0.39
FFAR2 O15552 1/20 0.38
KDR P35968 1/20 0.38

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
SCHEMBL16814798 0.87 PIK3CA (0.42) P2RX7ATMPIK3CAMTORATR
SCHEMBL18151456 0.86 TNF (0.41) P2RX7ATMPIK3CAMTORPIK3CD
SCHEMBL29987453 0.86 TNF (0.41) P2RX7ATMPIK3CAMTORPIK3CD
SCHEMBL18151732 0.84 TNF (0.41) ATMMTORPIK3CDPIK3CGTNF
SCHEMBL18151144 0.83 NPC1 (0.42) PIK3CAMTORTNFUSP30
SCHEMBL30673123 0.83 NPC1 (0.42) PIK3CAMTORTNFUSP30
SCHEMBL29794863 0.83 TNF (0.42) P2RX7MTORTNF
SCHEMBL18150860 0.83 TNF (0.42) P2RX7MTORTNF
SCHEMBL18151489 0.83 ATM (0.41) ATMPIK3CAMTORATRTNF
SCHEMBL18159819 0.82 CYP11B1 (0.43) P2RX7PIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9932343-B2 Fused tricyclic benzimidazoles derivatives as modulators of TNF activity UCB BIOPHARMA SPRL (BE) 2018-04-03 US claimed
EP-3080121-B1 FUSED TRICYCLIC BENZIMIDAZOLES DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB BIOPHARMA SPRL (BE) 2019-09-04 EP disclosed
EP-3080121-B1 FUSED TRICYCLIC BENZIMIDAZOLES DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB BIOPHARMA SPRL (BE) 2019-09-04 EP disclosed
US-9932343-B2 Fused tricyclic benzimidazoles derivatives as modulators of TNF activity UCB BIOPHARMA SPRL (BE) 2018-04-03 US disclosed
US-9932343-B2 Fused tricyclic benzimidazoles derivatives as modulators of TNF activity UCB BIOPHARMA SPRL (BE) 2018-04-03 US disclosed
US-20160304523-A1 Fused Tricyclic Benzimidazoles Derivatives As Modulators of TNF Activity SANOFI (FR) 2016-10-20 US disclosed
US-20160304523-A1 Fused Tricyclic Benzimidazoles Derivatives As Modulators of TNF Activity SANOFI (FR) 2016-10-20 US disclosed
WO-2015086525-A1 FUSED TRICYCLIC BENZIMIDAZOLES DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB BIOPHARMA SPRL (BE) 2015-06-18 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-20160304523-A1 Fused Tricyclic Benzimidazoles Derivatives As Modulators of TNF Activity TNF, TNFRSF1A, TNFRSF9 P2RX7 1033/4885ATM 2581/4885PIK3CA 673/4885

“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.