SCHEMBL14612946

SCHEMBL14612946

C[C@H]1CNCCN1c1ccc(C#N)cn1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SGPL1 O95470 8/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SMO Q99835 5/20 0.45
PARP1 P09874 2/20 0.41
GPR119 Q8TDV5 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
JAK3 P52333 1/20 0.39
PIM1 P11309 1/20 0.39
PIM3 Q86V86 1/20 0.39
PIM2 Q9P1W9 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
SCHEMBL6912478 1.00 SGPL1 (0.47) SGPL1KDM4EALDH1A1L3MBTL1SMO
SCHEMBL14581802 1.00 SGPL1 (0.47) SGPL1KDM4EALDH1A1L3MBTL1SMO
Hydrochloric Acid SCHEMBL2224936 0.99 SGPL1 (0.46) SGPL1KDM4EALDH1A1L3MBTL1SMO
Hydrochloric Acid SCHEMBL5463002 0.99 SGPL1 (0.46) SGPL1KDM4EALDH1A1L3MBTL1SMO
Hydrochloric Acid SCHEMBL20339700 0.99 SGPL1 (0.46) SGPL1KDM4EALDH1A1L3MBTL1SMO
Trifluoroacetic Acid SCHEMBL5471477 0.89 DPP4 (0.46) SGPL1SMOPARP1HTR2AHTR2C
SCHEMBL23744326 0.81 ROCK2 (0.41) GPR119HTR2AHTR2CJAK2JAK1
SCHEMBL2224273 0.81 KDM4E (0.50) SGPL1KDM4EALDH1A1L3MBTL1SMO
SCHEMBL23744678 0.81 ROCK2 (0.41) GPR119HTR2AHTR2CJAK2JAK1
SCHEMBL15858056 0.80 HTR2C (0.45) HTR2AHTR2CPIM1PIM3PIM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220033380-A1 POLY-ADP RIBOSE POLYMERASE (PARP) INHIBITORS Astellas Engineered Small Molecules US, Incorporated 2022-02-03 US disclosed
US-11034670-B2 Poly-ADP ribose polymerase (PARP) inhibitors MITOBRIDGE, INC. (US) 2021-06-15 US disclosed
EP-3562822-B1 POLY-ADP RIBOSE POLYMERASE (PARP) INHIBITORS MITOBRIDGE INC (US) 2021-03-10 EP disclosed
US-20200071299-A1 POLY-ADP RIBOSE POLYMERASE (PARP) INHIBITORS Astellas Engineered Small Molecules US, Incorporated 2020-03-05 US disclosed
EP-3562822-A1 POLY-ADP RIBOSE POLYMERASE (PARP) INHIBITORS Mitobridge, Inc. (US) 2019-11-06 EP disclosed
WO-2018125961-A1 POLY-ADP RIBOSE POLYMERASE (PARP) INHIBITORS MITOBRIDGE, INC. (US) 2018-07-05 WO disclosed
WO-2018125961-A1 POLY-ADP RIBOSE POLYMERASE (PARP) INHIBITORS MITOBRIDGE, INC. (US) 2018-07-05 WO disclosed
US-20070027118-A1 Novel compounds of amino sulfonyl derivatives AGOURON PHARMACEUTICALS, INC 2007-02-01 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-20220033380-A1 POLY-ADP RIBOSE POLYMERASE (PARP) INHIBITORS PARP1, PARP2, PARP11 SGPL1 356/4885KDM4E 2486/4885ALDH1A1 203/4885
US-11034670-B2 Poly-ADP ribose polymerase (PARP) inhibitors PARP1, PARP2, PARP11 SGPL1 356/4885KDM4E 2486/4885ALDH1A1 203/4885
US-20070027118-A1 Novel compounds of amino sulfonyl derivatives HSD11B1, HSD11B2, HSD17B11 SGPL1 175/4885KDM4E 1163/4885ALDH1A1 74/4885
US-20200071299-A1 POLY-ADP RIBOSE POLYMERASE (PARP) INHIBITORS PARP1, PARP2, PARP11 SGPL1 356/4885KDM4E 2486/4885ALDH1A1 203/4885

“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.