SCHEMBL19940928

SCHEMBL19940928

CCCC[C@](C)(CNC(C)=O)Nc1nc(NCc2ccc(OC)cc2OC)nc2cc(CC)cnc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 1/20 0.41
▸ TYRO3 Q06418 1/20 0.41
▸ MERTK Q12866 1/20 0.41
▸ GAS6 Q14393 1/20 0.41
▸ MAPT P10636 3/20 0.39
▸ TLR8 Q9NR97 4/20 0.36
▸ TSHR P16473 4/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ CNR1 P21554 1/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ KDM4C Q9H3R0 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ CYP1A2 P05177 4/20 0.35
▸ CYP3A4 P08684 4/20 0.35
▸ CYP2C19 P33261 4/20 0.35
▸ HSD17B10 Q99714 3/20 0.35
▸ CYP2C9 P11712 3/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ ALOX15 P16050 2/20 0.35

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
SCHEMBL19991820 1.00 FLT3 (0.41) FLT3TYRO3MERTKGAS6MAPT
SCHEMBL19991832 0.93 FLT3 (0.42) FLT3TYRO3MERTKGAS6MAPT
SCHEMBL19940963 0.93 FLT3 (0.42) FLT3TYRO3MERTKGAS6MAPT
SCHEMBL18109624 0.92 TLR8 (0.46) FLT3TYRO3MERTKGAS6MAPT
SCHEMBL18109627 0.92 TLR8 (0.46) FLT3TYRO3MERTKGAS6MAPT
SCHEMBL19941010 0.92 FLT3 (0.41) FLT3TYRO3MERTKGAS6MAPT
SCHEMBL23025599 0.91 FLT3 (0.41) FLT3TYRO3MERTKGAS6MAPT
SCHEMBL18125251 0.91 TLR8 (0.46) FLT3TYRO3MERTKGAS6MAPT
SCHEMBL18109430 0.91 TLR8 (0.46) FLT3TYRO3MERTKGAS6MAPT
SCHEMBL18109427 0.91 TLR8 (0.46) FLT3TYRO3MERTKGAS6MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3507288-B1 4,6-DIAMINO-PYRIDO[3,2-D]PYRIMIDINE DERIVATIES AS TOLL LIKE RECEPTOR MODULATORS GILEAD SCIENCES INC (US) 2020-08-26 — — EP disclosed
EP-3507288-B1 4,6-DIAMINO-PYRIDO[3,2-D]PYRIMIDINE DERIVATIES AS TOLL LIKE RECEPTOR MODULATORS GILEAD SCIENCES INC (US) 2020-08-26 — — EP disclosed
US-10640499-B2 Toll like receptor modulator compounds GILEAD SCIENCES, INC. (US) 2020-05-05 — — US disclosed
US-10640499-B2 Toll like receptor modulator compounds GILEAD SCIENCES, INC. (US) 2020-05-05 — — US disclosed
US-20180086755-A1 TOLL LIKE RECEPTOR MODULATOR COMPOUNDS GILEAD SCIENCES, INC. 2018-03-29 — — US disclosed
US-20180086755-A1 TOLL LIKE RECEPTOR MODULATOR COMPOUNDS GILEAD SCIENCES, INC. 2018-03-29 — — US disclosed
WO-2018045150-A1 4,6-DIAMINO-PYRIDO[3,2-D]PYRIMIDINE DERIVATIES AS TOLL LIKE RECEPTOR MODULATORS GILEAD SCIENCES, INC. (US) 2018-03-08 — — 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 (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-10640499-B2 Toll like receptor modulator compounds TLR8, TLR3, TLR6 FLT3 429/4885TYRO3 498/4885MERTK 265/4885
US-20180086755-A1 TOLL LIKE RECEPTOR MODULATOR COMPOUNDS TLR8, TLR3, TLR6 FLT3 565/4885TYRO3 526/4885MERTK 279/4885

“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.

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