SCHEMBL16764992

SCHEMBL16764992

O=C(NC12CC(C1)C2)c1c[nH]c2nccnc12

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.60
JAK3 P52333 2/20 0.50
PABPC1 P11940 1/20 0.48
AXL P30530 2/20 0.41
TSHR P16473 2/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
ALOX12 P18054 1/20 0.40
HTT P42858 1/20 0.40
ATM Q13315 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CNR1 P21554 1/20 0.40
PBK Q96KB5 1/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39

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
SCHEMBL28441237 0.77 CNR2 (0.69) CNR2TSHRKDM4EALDH1A1MAPT
SCHEMBL28445018 0.75 CNR2 (1.00) CNR2PABPC1TSHRKDM4EALDH1A1
SCHEMBL28133335 0.72 JAK3 (0.51) JAK3KDM4EALDH1A1HPGDHTT
SCHEMBL27905682 0.71 JAK3 (0.52) CNR2JAK3KDM4EALDH1A1HPGD
SCHEMBL14744348 0.71 JAK3 (0.47) CNR2JAK3KDM4EALDH1A1CNR1
SCHEMBL2277209 0.71 MAPK1 (0.48) TSHRKDM4EALDH1A1MAPTNPSR1
SCHEMBL24002999 0.70 PABPC1 (0.44) CNR2PABPC1TSHRMAPTCNR1
SCHEMBL2283210 0.70 SYK (0.56)
SCHEMBL653401 0.70 JAK3 (0.58) JAK3JAK2JAK1
SCHEMBL28133338 0.70 MAP2K1 (0.44) JAK3AXLJAK2JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230009153-A1 PYRROLO[2,3-D]PYRIMIDINYL, PYRROLO[2,3-B]PYRAZINYL AND PYRROLO[2,3-D]PYRIDINYL ACRYLAMIDES PFIZER INC. (US) 2023-01-12 US disclosed
US-11111242-B2 Pyrrolo[2,3-d]pyrimidinyl, pyrrolo[2,3-b]pyrazinyl and pyrrolo[2,3-d]pyridinyl acrylamides PFIZER INC. (US) 2021-09-07 US disclosed
US-20170247372-A1 PYRROLO[2,3-D]PYRIMIDINYL, PYRROLO[2,3-B]PYRAZINYL AND PYRROLO[2,3-D]PYRIDINYL ACRYLAMIDES PFIZER INC. (US) 2017-08-31 US disclosed
US-9617258-B2 Pyrrolo[2,3-d]pyrimidinyl, pyrrolo[2,3-b]pyrazinyl and pyrrolo[2,3-d]pyridinyl acrylamides PFIZER INC. (US) 2017-04-11 US disclosed
US-20150158864-A1 PYRROLO[2,3-D]PYRIMIDINYL, PYRROLO[2,3-B]PYRAZINYL AND PYR-ROLO[2,3-D]PYRIDINYL ACRYLAMIDES PFIZER INC. 2015-06-11 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-20170247372-A1 PYRROLO[2,3-D]PYRIMIDINYL, PYRROLO[2,3-B]PYRAZINYL AND PYRROLO[2,3-D]PYRIDINYL ACRYLAMIDES JAK2, JAK3, JAK1 CNR2 1352/4885JAK3 2/4885PABPC1 1191/4885
US-20150158864-A1 PYRROLO[2,3-D]PYRIMIDINYL, PYRROLO[2,3-B]PYRAZINYL AND PYR-ROLO[2,3-D]PYRIDINYL ACRYLAMIDES JAK2, JAK3, JAK1 CNR2 1553/4885JAK3 2/4885PABPC1 1075/4885
US-11111242-B2 Pyrrolo[2,3-d]pyrimidinyl, pyrrolo[2,3-b]pyrazinyl and pyrrolo[2,3-d]pyridinyl acrylamides JAK2, JAK3, JAK1 CNR2 2988/4885JAK3 2/4885PABPC1 1989/4885
US-20230009153-A1 PYRROLO[2,3-D]PYRIMIDINYL, PYRROLO[2,3-B]PYRAZINYL AND PYRROLO[2,3-D]PYRIDINYL ACRYLAMIDES JAK2, JAK3, JAK1 CNR2 1352/4885JAK3 2/4885PABPC1 1191/4885

“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.