SCHEMBL22124615

SCHEMBL22124615

N#Cc1c(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)c(F)c(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)c(F)c1N(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 11/20 0.40
ADORA2A P29274 9/20 0.40
ADORA2B P29275 2/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SQOR Q9Y6N5 1/20 0.35
GRIA2 P42262 2/20 0.34
GRIA4 P48058 2/20 0.34
ADRA2A P08913 1/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PTPN1 P18031 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL13826136 0.89 MAPT (0.38) ADORA1ADORA2AADORA2BMEN1KMT2A
SCHEMBL16122437 0.85 GRIA4 (0.39) ADORA1ADORA2AADORA2BMEN1KMT2A
SCHEMBL21972995 0.77 ALDH1A1 (0.43) ADORA1ADORA2AMEN1KMT2AGRIA2
SCHEMBL24329069 0.76 ADORA1 (0.48) ADORA1ADORA2A
SCHEMBL18137884 0.76 ADORA1 (0.37) ADORA1ADORA2AGRIA2GRIA4ADRA2A
SCHEMBL13826028 0.75 MAPT (0.43) ADORA1ADORA2AMEN1KMT2AHTT
SCHEMBL17546162 0.75 CYP11B1 (0.44) ADORA1ADORA2ACYP11B1CYP11B2HTT
SCHEMBL16122084 0.75 CYP11B1 (0.44) ADORA1ADORA2ACYP11B1CYP11B2MEN1
SCHEMBL13826009 0.74 ALDH1A1 (0.44) MEN1KMT2AHTTHSD17B10KDM4E
SCHEMBL18135408 0.74 ADORA1 (0.36) ADORA1ADORA2AGRIA2GRIA4ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220056027-A1 PHARMACEUTICAL PROCESS AND INTERMEDIATES ASTRAZENECA AB (SE) 2022-02-24 US claimed
EP-3899004-A2 PHARMACEUTICAL PROCESS AND INTERMEDIATES Astrazeneca AB (SE) 2021-10-27 EP claimed
WO-2020127208-A2 PHARMACEUTICAL PROCESS AND INTERMEDIATES ASTRAZENECA AB (SE) 2020-06-25 WO claimed
US-12365678-B2 Pharmaceutical process for the preparation of 4-{4-[(3R)-3-methylmorpholin-4-yl]-6-[1-((R)-S-methylsulfonimidoyl) cyclopropyl]pyrimidin-2-yl}-1H-pyrrolo[2,3-b] pyridine and intermediates ASTRAZENECA AB (SE) 2025-07-22 US disclosed
US-20220056027-A1 PHARMACEUTICAL PROCESS AND INTERMEDIATES ASTRAZENECA AB (SE) 2022-02-24 US disclosed
US-20220056027-A1 PHARMACEUTICAL PROCESS AND INTERMEDIATES ASTRAZENECA AB (SE) 2022-02-24 US disclosed
EP-3899004-A2 PHARMACEUTICAL PROCESS AND INTERMEDIATES Astrazeneca AB (SE) 2021-10-27 EP disclosed
WO-2020127208-A2 PHARMACEUTICAL PROCESS AND INTERMEDIATES ASTRAZENECA AB (SE) 2020-06-25 WO disclosed
WO-2020127208-A2 PHARMACEUTICAL PROCESS AND INTERMEDIATES ASTRAZENECA AB (SE) 2020-06-25 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-12365678-B2 Pharmaceutical process for the preparation of 4-{4-[(3R)-3-methylmorpholin-4-yl]-6-[1-((R)-S-methylsulfonimidoyl) cyclopropyl]pyrimidin-2-yl}-1H-pyrrolo[2,3-b] pyridine and intermediates TPMT, CYP3A7, HTR7 ADORA1 725/4885ADORA2A 632/4885ADORA2B 239/4885
US-20220056027-A1 PHARMACEUTICAL PROCESS AND INTERMEDIATES CYP3A7, UGT2B7, CDK7 ADORA1 1128/4885ADORA2A 607/4885ADORA2B 248/4885

“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.