SCHEMBL5565026

SCHEMBL5565026

Cn1nc(I)c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.44
DDB1 Q16531 5/20 0.44
CRBN Q96SW2 5/20 0.44
KDM4E B2RXH2 2/20 0.44
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
MAPK13 O15264 1/20 0.40
EIF2AK2 P19525 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
MAPK14 Q16539 1/20 0.40
GLS O94925 1/20 0.38
SLC9A1 P19634 1/20 0.38
KEAP1 Q14145 1/20 0.38
NQO2 P16083 1/20 0.37
CCR4 P51679 1/20 0.37
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL31172010 1.00 GPR3 (0.44) GPR3DDB1CRBNKDM4EHTR2A
SCHEMBL18799863 0.76 ALDH1A1 (0.41) DDB1CRBNKDM4ECNR1CNR2
SCHEMBL30506312 0.76 GLS (0.56) GPR3DDB1CRBNKDM4EHTR2A
SCHEMBL5209863 0.76 GPR3 (0.36) GPR3KDM4EGLSNQO2ALDH1A1
SCHEMBL147947 0.76 GLS (0.56) GPR3DDB1CRBNKDM4EHTR2A
SCHEMBL15792245 0.75 GLS (0.47) GPR3KDM4ECNR2GLSSLC9A1
SCHEMBL7737033 0.74 GPR3 (0.44) GPR3DDB1CRBNKDM4EHTR2A
SCHEMBL29461124 0.74 GPR3 (0.44) GPR3DDB1CRBNKDM4EHTR2A
SCHEMBL21379983 0.74 GPR3 (0.44) GPR3DDB1CRBNKDM4EHTR2A
SCHEMBL29901540 0.74 GPR3 (0.44) GPR3DDB1CRBNKDM4EHTR2A

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 82 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118852154-A Carboxamide substituted hetero tricyclic derivative, preparation method and application thereof 深圳微芯生物科技股份有限公司 2024-10-29 CN disclosed
US-20240208967-A1 Pyrimidine or Pyridine Compounds, Preparation Method Therefor and Pharmaceutical Uses Thereof INVENTISBIO CO LTD (CN) 2024-06-27 US disclosed
CN-112457298-B Substituted 2-anilinopyrimidine derivatives and their use as epidermal growth factor receptor modulators 贝达医药公司 2024-05-07 CN disclosed
CN-112375067-B Substituted 2-anilinopyrimidine derivatives and their use as epidermal growth factor receptor modulators 贝达医药公司 2024-03-15 CN disclosed
CN-114150336-B Preparation method of bromo/iodo arene derivative 哈尔滨工业大学(深圳) 2023-05-30 CN disclosed
WO-2023091746-A1 COMBINATION THERAPY COMPRISING AN FGFR INHIBITOR AND A KRAS INHIBITOR INCYTE CORPORATION (US) 2023-05-25 WO disclosed
WO-2023001061-A1 CDK7 SELECTIVE INHIBITORS AS ANTICANCER AGENTS JINGRUI BIOPHARMA CO., LTD. (CN) 2023-01-26 WO disclosed
WO-2023283213-A1 TRICYCLIC COMPOUNDS AS INHIBITORS OF KRAS INCYTE CORPORATION (US) 2023-01-12 WO disclosed
US-11414401-B2 Substituted 2-anilinopyrimidine derivatives as EGFR modulators BETA PHARMA INC. (US) 2022-08-16 US disclosed
CN-114150336-A Preparation method of bromine/iodo-aromatic hydrocarbon derivative 哈尔滨工业大学(深圳) 2022-03-08 CN disclosed
WO-2013030138-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-07 WO disclosed
US-20130059834-A1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN-LA ROCHE INC. 2013-03-07 US disclosed
US-20130059834-A1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN-LA ROCHE INC. 2013-03-07 US disclosed
US-20130059834-A1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN-LA ROCHE INC. 2013-03-07 US disclosed
US-7226941-B2 Compound for treating angiogenesis HIF BIO, INC. (US) 2007-06-05 US disclosed
US-7226941-B2 Compound for treating angiogenesis HIF BIO, INC. (US) 2007-06-05 US disclosed
US-7226941-B2 Compound for treating angiogenesis HIF BIO, INC. (US) 2007-06-05 US disclosed
EP-1646382-A2 COMPOUNDS, COMPOSITIONS AND METHODS HIF BIO INC. (US) 2006-04-19 EP disclosed
US-20050187276-A1 Compounds, compositions and methods BIZBIOTECH CO., LTD. (KR) 2005-08-25 US disclosed
WO-2005030121-A2 COMPOUNDS, COMPOSITIONS AND METHODS HIF BIO, INC. (US) 2005-04-07 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 (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-20240208967-A1 Pyrimidine or Pyridine Compounds, Preparation Method Therefor and Pharmaceutical Uses Thereof EGFR, WEE1, DPYD GPR3 1691/4885DDB1 4226/4885CRBN 4175/4885
US-20130059834-A1 PYRROLOPYRAZINE KINASE INHIBITORS SYK, ZAP70, JAK1 GPR3 3686/4885DDB1 2238/4885CRBN 1519/4885
US-20050187276-A1 Compounds, compositions and methods HIF1A, HIF1AN, EGLN3 GPR3 2038/4885DDB1 387/4885CRBN 397/4885
US-11414401-B2 Substituted 2-anilinopyrimidine derivatives as EGFR modulators EGFR, ERBB2, ERBB4 GPR3 424/4885DDB1 1829/4885CRBN 2861/4885

“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.