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Sugi Predict / Compounds / SCHEMBL16764765

SCHEMBL16764765

SCHEMBL16764765

O=C(OCc1ccccc1)N1CC[C@@H]2CCN[C@@H]2C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.57
▸ NPC1 O15118 2/20 0.57
▸ RAB9A P51151 2/20 0.57
▸ CYP2C19 P33261 1/20 0.55
▸ GRIN2B Q13224 5/20 0.50
▸ CYP2D6 P10635 2/20 0.49
▸ CYP2C9 P11712 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ HTT P42858 1/20 0.47
▸ USP30 Q70CQ3 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ ENPP2 Q13822 1/20 0.46
▸ F13A1 P00488 2/20 0.46
▸ TGM2 P21980 2/20 0.46
▸ TGM1 P22735 2/20 0.46
▸ PDE4B Q07343 1/20 0.45
▸ HSD11B1 P28845 1/20 0.45
▸ JAK2 O60674 1/20 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
SCHEMBL16765293 1.00 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL16765291 1.00 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL31288381 0.93 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL12563578 0.93 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL3058628 0.93 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL14964692 0.93 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
Hydrochloric Acid SCHEMBL31288372 0.92 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
Hydrochloric Acid SCHEMBL1993108 0.92 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL29327351 0.91 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL31726935 0.89 SMN1; SMN2 (0.65) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250134869-A1 Pyrrolo[2,3-d]pyrimidinyl, Pyrrolo[2,3-b]pyrazinyl and Pyrrolo[2,3-d]pyridinyl Acryla-mides PFIZER INC (US) 2025-05-01 — — US disclosed
US-12077533-B2 Pyrrolo[2,3-d]pyrimidinyl, pyrrolo[2,3-b]pyrazinyl and pyrrolo[2,3-d]pyridinyl acrylamides PFIZER INC. (US) 2024-09-03 — — US disclosed
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
EP-3318565-B1 PYRROLO[2,3-D]PYRIMIDINYL, PYRROLO[2,3-B]PYRAZINYL AND PYRROLO[2,3-D]PYRIDINYL ACRYLAMIDES PFIZER (US) 2021-04-14 — — EP disclosed
EP-3318565-A1 PYRROLO[2,3-D]PYRIMIDINYL, PYRROLO[2,3-B]PYRAZINYL AND PYRROLO[2,3-D]PYRIDINYL ACRYLAMIDES Pfizer Inc (US) 2018-05-09 — — EP disclosed
EP-3077395-B1 PYRROLO[2,3-D]PYRIMIDINYL, PYRROLO[2,3-B]PYRAZINYL AND PYRROLO[2,3-D]PYRIDINYL ACRYLAMIDES PFIZER (US) 2017-11-15 — — EP 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
EP-3077395-A1 PYRROLO[2,3-D]PYRIMIDINYL, PYRROLO[2,3-B]PYRAZINYL AND PYRROLO[2,3-D]PYRIDINYL ACRYLAMIDES Pfizer Inc. (US) 2016-10-12 — — EP 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
WO-2015083028-A1 PYRROLO[2,3-D]PYRIMIDINYL, PYRROLO[2,3-B]PYRAZINYL AND PYRROLO[2,3-D]PYRIDINYL ACRYLAMIDES PFIZER INC. (US) 2015-06-11 — — 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-12077533-B2 Pyrrolo[2,3-d]pyrimidinyl, pyrrolo[2,3-b]pyrazinyl and pyrrolo[2,3-d]pyridinyl acrylamides ACR, PKD2, PGA5 SMN1; SMN2 4491/4885NPC1 4752/4885RAB9A 4667/4885
US-20170247372-A1 PYRROLO[2,3-D]PYRIMIDINYL, PYRROLO[2,3-B]PYRAZINYL AND PYRROLO[2,3-D]PYRIDINYL ACRYLAMIDES JAK2, JAK3, JAK1 SMN1; SMN2 4248/4885NPC1 4842/4885RAB9A 3645/4885
US-20150158864-A1 PYRROLO[2,3-D]PYRIMIDINYL, PYRROLO[2,3-B]PYRAZINYL AND PYR-ROLO[2,3-D]PYRIDINYL ACRYLAMIDES JAK2, JAK3, JAK1 SMN1; SMN2 3579/4885NPC1 4864/4885RAB9A 2514/4885
US-11111242-B2 Pyrrolo[2,3-d]pyrimidinyl, pyrrolo[2,3-b]pyrazinyl and pyrrolo[2,3-d]pyridinyl acrylamides JAK2, JAK3, JAK1 SMN1; SMN2 3368/4885NPC1 4613/4885RAB9A 3240/4885
US-20250134869-A1 Pyrrolo[2,3-d]pyrimidinyl, Pyrrolo[2,3-b]pyrazinyl and Pyrrolo[2,3-d]pyridinyl Acryla-mides JAK2, JAK3, JAK1 SMN1; SMN2 3909/4885NPC1 4809/4885RAB9A 2641/4885
US-20230009153-A1 PYRROLO[2,3-D]PYRIMIDINYL, PYRROLO[2,3-B]PYRAZINYL AND PYRROLO[2,3-D]PYRIDINYL ACRYLAMIDES JAK2, JAK3, JAK1 SMN1; SMN2 4248/4885NPC1 4842/4885RAB9A 3645/4885

“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.