SCHEMBL4095529

SCHEMBL4095529

C[C@@H](O)c1cccc(C#N)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.46
GLA P06280 1/20 0.44
GSK3B P49841 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ADRA1D P25100 4/20 0.43
ADRA1A P35348 2/20 0.43
ADRA2B P18089 1/20 0.43
S1PR1 P21453 2/20 0.43
GRM4 Q14833 1/20 0.43
UGT2B7 P16662 1/20 0.42
ADRA1B P35368 1/20 0.42
GPR139 Q6DWJ6 1/20 0.42
TNF P01375 1/20 0.40
CNR1 P21554 4/20 0.40
CNR2 P34972 3/20 0.40

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
SCHEMBL30583447 1.00 ENPP2 (0.46) ENPP2GLAGSK3BMEN1KMT2A
SCHEMBL320196 1.00 ENPP2 (0.46) ENPP2GLAGSK3BMEN1KMT2A
SCHEMBL29857813 1.00 ENPP2 (0.46) ENPP2GLAGSK3BMEN1KMT2A
SCHEMBL214901 1.00 ENPP2 (0.46) ENPP2GLAGSK3BMEN1KMT2A
SCHEMBL1022809 0.86 ENPP2 (0.44) ENPP2GLAGSK3BADRA1DADRA1A
SCHEMBL11601220 0.83 ENPP2 (0.48) ENPP2GSK3BMEN1KMT2AADRA1D
SCHEMBL4693798 0.83 ENPP2 (0.48) ENPP2GSK3BMEN1KMT2AADRA1D
SCHEMBL104898 0.83 GLA (0.46) ENPP2GLAGSK3BADRA1DADRA1A
SCHEMBL27475654 0.82 GSK3B (0.46) ENPP2GLAGSK3BADRA1DADRA1A
SCHEMBL15617615 0.82 ESR1 (0.44) ENPP2GLAGSK3BADRA1DADRA1A

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-20240174683-A1 MAP4K1 INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2024-05-30 US disclosed
EP-4288437-A1 MAP4K1 INHIBITORS Bayer Aktiengesellschaft (DE) 2023-12-13 EP disclosed
WO-2022167627-A1 MAP4K1 INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2022-08-11 WO disclosed
US-20090215778-A1 Alpha-substituted Arylmethyl Piperazine Pyrazolo [1,5-alpha]Pyrimidine Amide Derivatives PANACOS PHARMACEUTICALS, INC. (US) 2009-08-27 US disclosed
US-20090215778-A1 Alpha-substituted Arylmethyl Piperazine Pyrazolo [1,5-alpha]Pyrimidine Amide Derivatives PANACOS PHARMACEUTICALS, INC. (US) 2009-08-27 US disclosed
US-20090215778-A1 Alpha-substituted Arylmethyl Piperazine Pyrazolo [1,5-alpha]Pyrimidine Amide Derivatives PANACOS PHARMACEUTICALS, INC. (US) 2009-08-27 US disclosed
WO-2008134036-A1 ALPHA-SUBSTITUTED ARYLMETHYL PIPERAZINE PYRAZOLO[1,5-α]PYRIMIDINE AMIDE DERIVATIVES PANACOS PHARMACEUTICALS, INC. (US) 2008-11-06 WO disclosed
EP-1206265-B1 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO INC (US) 2003-11-12 EP disclosed
US-6498165-B1 PYRIMIDINE COMPOUNDS; PROPHYLAXIS AND TREATMENT OF SUCH AS IMMUNE DISEASES, HYPERPROLIFERATIVE DISORDERS, CANCER, ANGIOGENSIS, ATHEROSCELEROSIS, GRAFT REJECTION, RHEUMATOID ARTHRITIS, PSORIASIS MERCK & CO., INC. 2002-12-24 US disclosed
EP-1206265-A4 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO INC (US) 2002-08-07 EP disclosed
EP-1206265-A1 SRC KINASE INHIBITOR COMPOUNDS Merck & Co., Inc. (US) 2002-05-22 EP disclosed
WO-2001000213-A1 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO., INC. (US) 2001-01-04 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-20090215778-A1 Alpha-substituted Arylmethyl Piperazine Pyrazolo [1,5-alpha]Pyrimidine Amide Derivatives THPO, DPYD, TPMT ENPP2 3071/4885GLA 2863/4885GSK3B 4641/4885
US-20240174683-A1 MAP4K1 INHIBITORS MAP3K4, MAP4K4, MAP4K1 ENPP2 522/4885GLA 3651/4885GSK3B 386/4885

“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.