SCHEMBL3633587

SCHEMBL3633587

COc1ccc2[nH]cc(C(N)=O)c2c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.73
LMNA P02545 3/20 0.69
MEN1 O00255 2/20 0.69
KMT2A Q03164 2/20 0.69
MAPT P10636 2/20 0.69
MITF O75030 1/20 0.69
RAB9A P51151 1/20 0.69
NPSR1 Q6W5P4 1/20 0.69
ALDH1A1 P00352 4/20 0.61
CYP1A2 P05177 2/20 0.61
CYP2C19 P33261 2/20 0.61
CYP2C9 P11712 1/20 0.61
CPT1A P50416 1/20 0.57
KDM4E B2RXH2 3/20 0.57
MTNR1A P48039 1/20 0.56
MTNR1B P49286 1/20 0.56
HTR4 Q13639 2/20 0.56
IMPDH2 P12268 1/20 0.55
IMPDH1 P20839 1/20 0.55
HTR2B P41595 1/20 0.55

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
SCHEMBL3477919 0.90 KDM4E (0.64) NR4A2LMNAMEN1KMT2AMAPT
SCHEMBL1858919 0.88 NR4A2 (0.69) NR4A2LMNAMEN1KMT2AMAPT
SCHEMBL3660284 0.88 MAPT (0.69) NR4A2LMNAMEN1KMT2AMAPT
SCHEMBL27908679 0.87 NR4A2 (0.77) NR4A2LMNAMEN1KMT2AMAPT
SCHEMBL592889 0.87 NR4A2 (0.77) NR4A2LMNAMEN1KMT2AMAPT
SCHEMBL2834218 0.86 NR4A2 (0.75) NR4A2LMNAMEN1KMT2AMAPT
SCHEMBL11794897 0.84 LMNA (0.74) NR4A2LMNAMEN1KMT2AMAPT
SCHEMBL5068806 0.84 NR4A2 (1.00) NR4A2LMNAMEN1KMT2AMAPT
SCHEMBL1558974 0.83 NR4A2 (0.71) NR4A2LMNAMEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL7250644 0.82 LMNA (0.75) NR4A2LMNAMEN1KMT2AMAPT

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
EP-2142516-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS Sanofi-Aventis (FR) 2010-01-13 EP claimed
WO-2008121670-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI-AVENTIS (FR) 2008-10-09 WO claimed
CN-111566100-B Pyrimidine compound, preparation method and medical application thereof 恩瑞生物医药科技(上海)有限公司 2023-10-27 CN disclosed
US-20210101881-A1 PYRIMIDINE COMPOUND, PREPARATION METHOD THEREOF AND MEDICAL USE THEREOF ANCUREALL PHARMACEUTICAL (SHANGHAI) CO., LTD. (CN) 2021-04-08 US disclosed
US-20210101881-A1 PYRIMIDINE COMPOUND, PREPARATION METHOD THEREOF AND MEDICAL USE THEREOF ANCUREALL PHARMACEUTICAL (SHANGHAI) CO., LTD. (CN) 2021-04-08 US disclosed
CN-111566100-A Pyrimidine compound, preparation method and medical application thereof 恩瑞生物医药科技(上海)有限公司 2020-08-21 CN disclosed
WO-2019154177-A1 PYRIMIDINE COMPOUND, PREPARATION METHOD THEREOF AND MEDICAL USE THEREOF 恩瑞生物医药科技(上海)有限公司 2019-08-15 WO disclosed
EP-2142516-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS Sanofi-Aventis (FR) 2010-01-13 EP disclosed
WO-2008121670-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI-AVENTIS (FR) 2008-10-09 WO disclosed
EP-0337547-B1 Spirocyclic compounds incorporating five-membered rings with two heteroatoms MERCK SHARP & DOHME (GB) 1994-03-02 EP disclosed
US-4940703-A Spirocyclic compounds incorporating five-membered rings with two heteroatoms for treating psychotic disorders, etc. MERCK SHARP & DOHME LIMITED (GB) 1990-07-10 US disclosed
EP-0337547-A1 Spirocyclic compounds incorporating five-membered rings with two heteroatoms MERCK SHARP & DOHME LTD. (GB) 1989-10-18 EP 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 (1 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-20210101881-A1 PYRIMIDINE COMPOUND, PREPARATION METHOD THEREOF AND MEDICAL USE THEREOF CDK9, CDK19, CDK6 NR4A2 3667/4885LMNA 3403/4885MEN1 2090/4885

“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.