SCHEMBL21379983

SCHEMBL21379983

[CH2]c1nn(C)c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.44
KDM4E B2RXH2 2/20 0.44
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
DDB1 Q16531 5/20 0.41
CRBN Q96SW2 5/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
GLS O94925 1/20 0.38
SLC9A1 P19634 1/20 0.38
KEAP1 Q14145 1/20 0.38
CCR4 P51679 1/20 0.37
ALDH1A1 P00352 2/20 0.36
TSHR P16473 2/20 0.36
CYP3A4 P08684 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPK13 O15264 1/20 0.36
EIF2AK2 P19525 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
SCHEMBL147947 0.76 GLS (0.56) GPR3KDM4EHTR2AHTR2CHTR2B
SCHEMBL30506312 0.76 GLS (0.56) GPR3KDM4EHTR2AHTR2CHTR2B
SCHEMBL5565026 0.74 GPR3 (0.44) GPR3KDM4EHTR2AHTR2CHTR2B
SCHEMBL823488 0.74 GSK3B (0.45) GPR3KDM4EHTR2AHTR2CHTR2B
SCHEMBL12998307 0.74 KDM4E (0.47) GPR3KDM4EHTR2AHTR2CHTR2B
SCHEMBL29461124 0.74 GPR3 (0.44) GPR3KDM4EHTR2AHTR2CHTR2B
SCHEMBL29901540 0.74 GPR3 (0.44) GPR3KDM4EHTR2AHTR2CHTR2B
SCHEMBL7737033 0.74 GPR3 (0.44) GPR3KDM4EHTR2AHTR2CHTR2B
SCHEMBL31172010 0.74 GPR3 (0.44) GPR3KDM4EHTR2AHTR2CHTR2B
SCHEMBL7074771 0.74 GPR3 (0.44) GPR3KDM4EHTR2AHTR2CHTR2B

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 10 patents. 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
EP-3759112-A1 IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES AS A2A / A2B INHIBITORS Incyte Corporation (US) 2021-01-06 EP claimed
US-20190292188-A1 IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES AS A2A / A2B INHIBITORS INCYTE CORPORATION 2019-09-26 US claimed
US-20230357255-A1 IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES AS A2A / A2B INHIBITORS INCYTE CORPORATION 2023-11-09 US disclosed
US-11673894-B2 Imidazopyrimidines and triazolopyrimidines as A2A / A2B inhibitors INCYTE CORPORATION (US) 2023-06-13 US disclosed
US-20210139485-A1 IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES AS A2A / A2B INHIBITORS INCYTE CORPORATION 2021-05-13 US disclosed
EP-3759112-A1 IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES AS A2A / A2B INHIBITORS Incyte Corporation (US) 2021-01-06 EP disclosed
US-20190292188-A1 IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES AS A2A / A2B INHIBITORS INCYTE CORPORATION 2019-09-26 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 (4 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 GPR3 402/4885KDM4E 4274/4885HTR2A 31/4885
US-20190292188-A1 IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES AS A2A / A2B INHIBITORS ADORA2A, ADORA2B, ADORA1 GPR3 402/4885KDM4E 4274/4885HTR2A 31/4885
US-20230357255-A1 IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES AS A2A / A2B INHIBITORS ADORA2A, ADORA2B, ADORA1 GPR3 402/4885KDM4E 4274/4885HTR2A 31/4885
US-11673894-B2 Imidazopyrimidines and triazolopyrimidines as A2A / A2B inhibitors ADORA2A, ADORA2B, ADORA1 GPR3 402/4885KDM4E 4274/4885HTR2A 31/4885

“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.