SCHEMBL18124672

SCHEMBL18124672

CCC[C@H](C(=O)NCc1ccccn1)C(C)C

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.59
CYP1A2 P05177 1/20 0.59
CYP2D6 P10635 1/20 0.59
MAPT P10636 1/20 0.59
TSHR P16473 1/20 0.59
ALDH1A1 P00352 2/20 0.56
POLB P06746 1/20 0.55
NPC1 O15118 4/20 0.53
CYP3A4 P08684 1/20 0.52
GPR88 Q9GZN0 1/20 0.52
RAB9A P51151 4/20 0.51
KMT2A Q03164 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CTSK P43235 1/20 0.50
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 1/20 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
SCHEMBL18124654 1.00 SMN1; SMN2 (0.59) SMN1; SMN2CYP1A2CYP2D6MAPTTSHR
SCHEMBL18124635 1.00 SMN1; SMN2 (0.59) SMN1; SMN2CYP1A2CYP2D6MAPTTSHR
SCHEMBL20145306 0.90 SMN1; SMN2 (0.56) SMN1; SMN2CYP1A2CYP2D6MAPTTSHR
SCHEMBL18125091 0.86 MAPT (0.69) SMN1; SMN2CYP1A2CYP2D6MAPTTSHR
SCHEMBL18125100 0.86 MAPT (0.69) SMN1; SMN2CYP1A2CYP2D6MAPTTSHR
SCHEMBL18125081 0.86 MAPT (0.69) SMN1; SMN2CYP1A2CYP2D6MAPTTSHR
SCHEMBL11814069 0.85 SMN1; SMN2 (0.59) SMN1; SMN2CYP1A2CYP2D6MAPTTSHR
SCHEMBL21370385 0.83 SMN1; SMN2 (0.54) SMN1; SMN2CYP1A2CYP2D6MAPTTSHR
SCHEMBL18664499 0.82 POLB (0.56) SMN1; SMN2CYP1A2CYP2D6MAPTTSHR
SCHEMBL18638511 0.82 POLB (0.56) SMN1; SMN2CYP1A2CYP2D6MAPTTSHR

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-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-A1 4,6-DIAMINO-PYRIDO[3,2-D]PYRIMIDINE COMPOUNDS AND THEIR UTILISATION AS MODULATORS OF TOLL-LIKE RECEPTORS Gilead Sciences, Inc. (US) 2018-05-16 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
WO-2017048727-A1 MODULATORS OF TOLL-LIKE RECPTORS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2017-03-23 WO disclosed
US-20170071944-A1 MODULATORS OF TOLL-LIKE RECEPTORS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2017-03-16 US 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 (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-20170281627-A1 TOLL LIKE RECEPTOR MODULATOR COMPOUNDS TLR8, TLR3, TLR6 SMN1; SMN2 4646/4885CYP1A2 4675/4885CYP2D6 3621/4885
US-20160289229-A1 TOLL LIKE RECEPTOR MODULATOR COMPOUNDS TLR8, TLR3, TLR6 SMN1; SMN2 4646/4885CYP1A2 4675/4885CYP2D6 3621/4885
US-20170071944-A1 MODULATORS OF TOLL-LIKE RECEPTORS FOR THE TREATMENT OF HIV TLR8, TLR3, TLR6 SMN1; SMN2 4563/4885CYP1A2 4555/4885CYP2D6 3837/4885

“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.