SCHEMBL2379232

SCHEMBL2379232

C[C@H]1C[C@H](N)CN(C(=O)OCc2ccccc2)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.52
CYP2C19 P33261 1/20 0.52
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
HTR2C P28335 2/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
CACNA1G O43497 1/20 0.46
CACNA1H O95180 1/20 0.46
CACNA1I Q9P0X4 1/20 0.46
HTT P42858 1/20 0.45
PDK1 Q15118 1/20 0.44
PDK2 Q15119 1/20 0.44
PDK3 Q15120 1/20 0.44
PDK4 Q16654 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.43
CHRM4 P08173 1/20 0.43
ALDH1A1 P00352 2/20 0.43
JAK2 O60674 1/20 0.43

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
SCHEMBL13330343 1.00 SMN1; SMN2 (0.52) SMN1; SMN2CYP2C19NPC1RAB9AHTR2C
SCHEMBL28429589 1.00 SMN1; SMN2 (0.52) SMN1; SMN2CYP2C19NPC1RAB9AHTR2C
SCHEMBL23186133 1.00 SMN1; SMN2 (0.52) SMN1; SMN2CYP2C19NPC1RAB9AHTR2C
SCHEMBL2378732 1.00 SMN1; SMN2 (0.52) SMN1; SMN2CYP2C19NPC1RAB9AHTR2C
Hydrochloric Acid SCHEMBL2378728 0.99 SMN1; SMN2 (0.51) SMN1; SMN2CYP2C19NPC1RAB9AHTR2C
Hydrochloric Acid SCHEMBL22613316 0.99 SMN1; SMN2 (0.51) SMN1; SMN2CYP2C19NPC1RAB9AHTR2C
Hydrochloric Acid SCHEMBL2379142 0.99 SMN1; SMN2 (0.51) SMN1; SMN2CYP2C19NPC1RAB9AHTR2C
Hydrochloric Acid SCHEMBL2379229 0.99 SMN1; SMN2 (0.51) SMN1; SMN2CYP2C19NPC1RAB9AHTR2C
Hydrochloric Acid SCHEMBL28401379 0.99 SMN1; SMN2 (0.51) SMN1; SMN2CYP2C19NPC1RAB9AHTR2C
SCHEMBL16653836 0.90 SMN1; SMN2 (0.58) SMN1; SMN2CYP2C19NPC1RAB9AHTR2C

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 18 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-8618103-B2 Inhibitors of JAK HOFFMANN-LA ROCHE INC. (US) 2013-12-31 US disclosed
EP-2475667-A1 INHIBITORS OF JAK F. Hoffmann-La Roche AG (CH) 2012-07-18 EP disclosed
EP-2373653-A1 PYRROLOPYRAZINYL UREA KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2011-10-12 EP disclosed
US-8012974-B2 Pyrrolopyrazinyl urea kinase inhibitors ROCHE PALO ALTO LLC (US) 2011-09-06 US disclosed
US-8012974-B2 Pyrrolopyrazinyl urea kinase inhibitors ROCHE PALO ALTO LLC (US) 2011-09-06 US disclosed
US-8012974-B2 Pyrrolopyrazinyl urea kinase inhibitors ROCHE PALO ALTO LLC (US) 2011-09-06 US disclosed
WO-2011029804-A1 INHIBITORS OF JAK F. HOFFMANN-LA ROCHE AG (CH) 2011-03-17 WO disclosed
WO-2011029804-A1 INHIBITORS OF JAK F. HOFFMANN-LA ROCHE AG (CH) 2011-03-17 WO disclosed
US-20110059118-A1 INHIBITORS OF JAK DE VICENTE FIDALGO JAVIER 2011-03-10 US disclosed
US-20110059118-A1 INHIBITORS OF JAK DE VICENTE FIDALGO JAVIER 2011-03-10 US disclosed
US-20110059118-A1 INHIBITORS OF JAK DE VICENTE FIDALGO JAVIER 2011-03-10 US disclosed
WO-2010063634-A1 PYRROLOPYRAZINYL UREA KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-06-10 WO disclosed
US-20100144745-A1 Pyrrolopyrazinyl Urea Kinase Inhibitors ROCHE PALO ALTO LLC 2010-06-10 US disclosed
US-20100144745-A1 Pyrrolopyrazinyl Urea Kinase Inhibitors ROCHE PALO ALTO LLC 2010-06-10 US disclosed
US-20100144745-A1 Pyrrolopyrazinyl Urea Kinase Inhibitors ROCHE PALO ALTO LLC 2010-06-10 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 (5 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 4491/4885CYP2C19 526/4885NPC1 4752/4885
US-20110059118-A1 INHIBITORS OF JAK JAK1, JAK3, JAK2 SMN1; SMN2 4714/4885CYP2C19 2766/4885NPC1 3749/4885
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 3909/4885CYP2C19 1233/4885NPC1 4809/4885
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 4248/4885CYP2C19 1617/4885NPC1 4842/4885
US-20100144745-A1 Pyrrolopyrazinyl Urea Kinase Inhibitors JAK1, JAK3, ULK3 SMN1; SMN2 4845/4885CYP2C19 2370/4885NPC1 4394/4885

“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.