SCHEMBL18109643

SCHEMBL18109643

CCCCc1ccnc2c(N)nc(N)nc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 7/20 0.41
ADORA2A P29274 1/20 0.40
TLR7 Q9NYK1 4/20 0.39
CSNK1A1 P48729 1/20 0.38
CSNK1D P48730 1/20 0.38
PRKCD Q05655 1/20 0.38
PAK1 Q13153 1/20 0.38
CAMK2B Q13554 1/20 0.38
CAMK2G Q13555 1/20 0.38
CAMK2D Q13557 1/20 0.38
TAOK1 Q7L7X3 1/20 0.38
DHFR P00374 3/20 0.38
NOS1 P29475 1/20 0.37
PKM P14618 1/20 0.37
CDK1 P06493 1/20 0.36
CCNB1 P14635 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
ADK P55263 1/20 0.36
NOS2 P35228 1/20 0.36

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
SCHEMBL18109749 0.95 DHFR (0.43) TLR8ADORA2ATLR7CSNK1A1CSNK1D
SCHEMBL18109721 0.77 NOS1 (0.39) TLR8DHFRNOS1PKMCDK1
SCHEMBL1791277 0.73 ADORA2A (0.41) ADORA2ADHFRCDK1CCNB1CCNE1
SCHEMBL27900729 0.73 TLR8 (0.47) TLR8TLR7ADKNOS2
SCHEMBL15528179 0.71 NOS2 (0.49) TLR8TLR7NOS1NOS2
SCHEMBL19520099 0.71 ADORA2A (0.48) ADORA2ADHFRNOS1CDK1CCNB1
SCHEMBL10005371 0.71 CCR1 (0.43) TLR8CDK1CCNB1CCNE1CDK2
SCHEMBL31026580 0.71 CCR1 (0.43) TLR8CDK1CCNB1CCNE1CDK2
SCHEMBL18109297 0.71 HSP90AA1 (0.41) TLR8ADORA2ATLR7DHFRNOS1
SCHEMBL20134736 0.70 DHFR (0.67) DHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220218709-A1 TOLL LIKE RECEPTOR MODULATOR COMPOUNDS GILEAD SCIENCES, INC. 2022-07-14 US disclosed
WO-2020255038-A1 COMBINATION OF HEPATITIS B VIRUS (HBV) VACCINES AND PYRIDOPYRIMIDINE DERIVATIVES Janssen Sciences Ireland Unlimited Company (IE) 2020-12-24 WO disclosed
EP-3722297-A1 TOLL-LIKE RECEPTOR MODULATING 4,6-DIAMINO-PYRIDO[3,2-D]PYRIMIDINE COMPOUNDS Gilead Sciences, Inc. (US) 2020-10-14 EP disclosed
EP-3321265-B1 4,6-DIAMINO-PYRIDO[3,2-D]PYRIMIDINE COMPOUNDS AND THEIR UTILISATION AS MODULATORS OF TOLL-LIKE RECEPTORS GILEAD SCIENCES INC (US) 2020-05-06 EP disclosed
US-20190282576-A1 TOLL LIKE RECEPTOR MODULATOR COMPOUNDS GILEAD SCIENCES, INC. 2019-09-19 US disclosed
US-10285990-B2 Toll like receptor modulator compounds GILEAD SCIENCES, INC. (US) 2019-05-14 US disclosed
EP-3097102-B1 TOLL-LIKE RECEPTOR MODULATING 4,6-DIAMINO-PYRIDO[3,2-D]PYRIMIDINE COMPOUNDS GILEAD SCIENCES INC (US) 2017-10-18 EP disclosed
US-20170281627-A1 TOLL LIKE RECEPTOR MODULATOR COMPOUNDS GILEAD SCIENCES, INC. 2017-10-05 US disclosed
US-9670205-B2 Toll like receptor modulator compounds GILEAD SCIENCES, INC. (US) 2017-06-06 US disclosed
EP-3097102-A1 TOLL-LIKE RECEPTOR MODULATING 4,6-DIAMINO-PYRIDO[3,2-D]PYRIMIDINE COMPOUNDS Gilead Sciences, Inc. (US) 2016-11-30 EP disclosed
US-20160289229-A1 TOLL LIKE RECEPTOR MODULATOR COMPOUNDS GILEAD SCIENCES, INC. 2016-10-06 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 (5 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-20170281627-A1 TOLL LIKE RECEPTOR MODULATOR COMPOUNDS TLR8, TLR3, TLR6 TLR8 1/4885ADORA2A 51/4885TLR7 9/4885
US-10285990-B2 Toll like receptor modulator compounds TLR8, TLR3, TLR6 TLR8 1/4885ADORA2A 51/4885TLR7 9/4885
US-20220218709-A1 TOLL LIKE RECEPTOR MODULATOR COMPOUNDS TLR8, TLR3, TLR6 TLR8 1/4885ADORA2A 51/4885TLR7 9/4885
US-20190282576-A1 TOLL LIKE RECEPTOR MODULATOR COMPOUNDS TLR8, TLR3, TLR6 TLR8 1/4885ADORA2A 51/4885TLR7 9/4885
US-20160289229-A1 TOLL LIKE RECEPTOR MODULATOR COMPOUNDS TLR8, TLR3, TLR6 TLR8 1/4885ADORA2A 51/4885TLR7 9/4885

“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.