SCHEMBL3596358

SCHEMBL3596358

[CH2]n1nnnc1-c1ccccn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.56
TP53 P04637 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
TSHR P16473 3/20 0.56
KDM4E B2RXH2 7/20 0.48
HTT P42858 3/20 0.48
MAPT P10636 3/20 0.48
ALDH1A1 P00352 2/20 0.48
LMNA P02545 3/20 0.46
CCR1 P32246 2/20 0.46
CCR5 P51681 2/20 0.46
CCR8 P51685 2/20 0.46
CYP1A2 P05177 1/20 0.46
POLB P06746 1/20 0.46
METAP1 P53582 1/20 0.46
BLM P54132 1/20 0.46
HIF1A Q16665 1/20 0.46
DOHH Q9BU89 1/20 0.46
P4HTM Q9NXG6 1/20 0.46
RAB9A P51151 6/20 0.45

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
SCHEMBL3596359 0.78 NPC1 (0.56) NPC1TP53SMN1; SMN2TSHRKDM4E
SCHEMBL9381965 0.75 ALDH1A1 (0.68) NPC1TP53SMN1; SMN2TSHRKDM4E
SCHEMBL27916117 0.75 KDM4E (0.56) NPC1TP53SMN1; SMN2TSHRKDM4E
SCHEMBL27810664 0.75 NPC1 (0.49) NPC1TP53SMN1; SMN2TSHRKDM4E
SCHEMBL18030327 0.74 NPC1 (0.51) NPC1TP53SMN1; SMN2TSHRKDM4E
SCHEMBL5491965 0.74 KDM4E (0.55) NPC1TP53SMN1; SMN2TSHRKDM4E
SCHEMBL2474693 0.72 NPC1 (1.00) NPC1TP53SMN1; SMN2TSHRKDM4E
SCHEMBL30242943 0.72 NPC1 (1.00) NPC1TP53SMN1; SMN2TSHRKDM4E
SCHEMBL5285566 0.72 ALDH1A1 (0.50) SMN1; SMN2TSHRKDM4EHTTALDH1A1
Dipyridyl SCHEMBL6885910 0.70 KDM4E (0.93) NPC1TP53SMN1; SMN2TSHRKDM4E

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230357255-A1 IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES AS A2A / A2B INHIBITORS INCYTE CORPORATION 2023-11-09 US claimed
US-11673894-B2 Imidazopyrimidines and triazolopyrimidines as A2A / A2B inhibitors INCYTE CORPORATION (US) 2023-06-13 US claimed
US-20210139485-A1 IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES AS A2A / A2B INHIBITORS INCYTE CORPORATION 2021-05-13 US claimed
CN-112384515-A Imidazopyrimidines and triazolopyrimidines as A2A/A2B inhibitors 因赛特公司 2021-02-19 CN claimed
US-20190292188-A1 IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES AS A2A / A2B INHIBITORS INCYTE CORPORATION 2019-09-26 US claimed
US-20130210769-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2013-08-15 US claimed
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2010-09-16 US claimed
EP-2121598-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2009-11-25 EP claimed
WO-2008076754-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-06-26 WO claimed
CN-117903140-A Imidazopyrimidines and triazolopyrimidines as A2A/A2B inhibitors 因赛特公司 2024-04-19 CN disclosed
CN-117500503-A Combination therapy comprising an A2A/A2B inhibitor, a PD-1/PD-L1 inhibitor and an anti-CD 73 antibody 因赛特公司 2024-02-02 CN disclosed
US-20230357255-A1 IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES AS A2A / A2B INHIBITORS INCYTE CORPORATION 2023-11-09 US disclosed
EP-4271384-A1 COMBINATION THERAPY COMPRISING A2A/A2B INHIBITORS, PD-1/PD-L1 INHIBITORS, AND ANTI-CD73 ANTIBODIES Incyte Corporation (US) 2023-11-08 EP disclosed
US-11673894-B2 Imidazopyrimidines and triazolopyrimidines as A2A / A2B inhibitors INCYTE CORPORATION (US) 2023-06-13 US disclosed
US-20190292188-A1 IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES AS A2A / A2B INHIBITORS INCYTE CORPORATION 2019-09-26 US disclosed
US-20130210769-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2013-08-15 US disclosed
US-8431607-B2 Compounds and compositions as inhibitors of cannabinoid receptor 1 activity IRM LLC, A DELAWARE LIMITED LIABILITY COMPANY (BM) 2013-04-30 US disclosed
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2010-09-16 US disclosed
EP-2121598-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2009-11-25 EP disclosed
WO-2008076754-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-06-26 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 (6 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-20210139485-A1 IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES AS A2A / A2B INHIBITORS ADORA2A, ADORA2B, ADORA1 NPC1 2595/4885TP53 2256/4885SMN1; SMN2 1489/4885
US-20190292188-A1 IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES AS A2A / A2B INHIBITORS ADORA2A, ADORA2B, ADORA1 NPC1 2595/4885TP53 2256/4885SMN1; SMN2 1489/4885
US-20230357255-A1 IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES AS A2A / A2B INHIBITORS ADORA2A, ADORA2B, ADORA1 NPC1 2595/4885TP53 2256/4885SMN1; SMN2 1489/4885
US-11673894-B2 Imidazopyrimidines and triazolopyrimidines as A2A / A2B inhibitors ADORA2A, ADORA2B, ADORA1 NPC1 2595/4885TP53 2256/4885SMN1; SMN2 1489/4885
US-20130210769-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH NPC1 79/4885TP53 4640/4885SMN1; SMN2 3746/4885
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH NPC1 79/4885TP53 4640/4885SMN1; SMN2 3746/4885

“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.