SCHEMBL5068437

SCHEMBL5068437

CSc1ncnc2[nH]ncc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.55
PI4KA P42356 1/20 0.55
XDH P47989 1/20 0.55
LRRK2 Q5S007 1/20 0.55
PI4K2B Q8TCG2 1/20 0.55
PI4K2A Q9BTU6 1/20 0.55
PI4KB Q9UBF8 1/20 0.55
PDPK1 O15530 2/20 0.55
CHEK1 O14757 1/20 0.53
AURKA O14965 1/20 0.53
ALDH1A1 P00352 2/20 0.47
CYP1A2 P05177 2/20 0.44
AKT2 P31751 1/20 0.44
MAPK1 P28482 2/20 0.44
HPGDS O60760 1/20 0.44
CSF1R P07333 1/20 0.43
TP53 P04637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MKNK1 Q9BUB5 2/20 0.41
CCNT1 O60563 1/20 0.41

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
Ribose (Furanose) SCHEMBL11213314 0.79 TP53 (0.39) RETPI4KAXDHLRRK2PI4K2B
SCHEMBL1951268 0.77 ALDH1A1 (0.50) RETPI4KAXDHLRRK2PI4K2B
SCHEMBL11118349 0.77 RET (0.50) RETPI4KAXDHLRRK2PI4K2B
SCHEMBL128579 0.74 ADORA2A (0.44) RETPI4KAXDHLRRK2PI4K2B
SCHEMBL2619226 0.74 RET (0.61) RETPI4KAXDHLRRK2PI4K2B
SCHEMBL10226489 0.73 ALDH1A1 (0.56) RETPI4KAXDHLRRK2PI4K2B
SCHEMBL17229945 0.73 RET (0.50) RETPI4KAXDHLRRK2PI4K2B
SCHEMBL6336544 0.72 CCNE1 (0.38) RETPI4KAXDHLRRK2PI4K2B
SCHEMBL11363 0.71 XDH (1.00) RETPI4KAXDHLRRK2PI4K2B
SCHEMBL30763272 0.71 XDH (0.63) RETPI4KAXDHLRRK2PI4K2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015134366-A1 HIV PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-09-11 WO disclosed
US-20080081817-A1 Nitrogenous Fused Bicyclic Compound TANABE SEIYAKU CO., LTD. (JP) 2008-04-03 US disclosed
EP-1772454-A1 NITROGENOUS FUSED BICYCLIC COMPOUND TANABE SEIYAKU CO., LTD. (JP) 2007-04-11 EP disclosed
US-6713484-B2 FUSED RING PYRIMIDINE DERIVATIVES; LOW CYTOTOXICITY WARNER-LAMBERT COMPANY 2004-03-30 US disclosed
US-20030186987-A1 Bicyclic compounds capable of inhibiting tyrosine kinases of the epidermal growth factor receptor family BRIDGES ALEXANDER JAMES (US) 2003-10-02 US disclosed
US-6600028-B1 Tricyclic compound for use as viricide AMERSHAM PHARMACIA BIOTECH UK LIMITED (GB) 2003-07-29 US disclosed
US-6521620-B1 Suppressing tumors, especially breast cancers; antiproli-ferative agents; arthritis, vascular restenosis, psoriasis and angiogenesis; extremely low cytotoxicity WARNER-LAMBERT COMPANY 2003-02-18 US disclosed
US-6455534-B2 ANTIPROLIVERATIVE, -CARCINOGENIC AND -TUMOR AGENTS; MITOGENESIS-ACTIVATED PROTEIN KINASE INHIBITORS; NONCYTOTOXIC; BINDING WITH HIGH AFFINITY AT THE ADENOSINE TRIPHOSPHATE BINDING SITE OF THE KINASES WARNER-LAMBERT COMPANY 2002-09-24 US disclosed
US-20010027197-A1 Bicyclic compounds capable of inhibiting tyrosine kinases of the epidermal growth factor receptor family BRIDGES ALEXANDER JAMES (US) 2001-10-04 US disclosed
US-6265410-B1 ANTICARCINOGENIC AGENTS WARNER-LAMBERT COMPANY 2001-07-24 US disclosed
US-6084095-A INCLUDING 6-AMINO-4-(3-BROMOANILINO)PYRIDO(3,2-D)PYRIMIDINE; 4-(3-BROMOANILINO)-6-METHYLAMINOPYRIDO (3,2-D)PYRIMIDINE; AND 4-(3-BROMOANILINO)-6-METHYLAMINOPYRIDO(3,2-D)PYRIMIDINE; USEFUL IN TREATING PROLIFERATIVE DISEASES SUCH AS CANCER WARNER-LAMBERT COMPANY (US) 2000-07-04 US disclosed
EP-0973788-A1 TRICYCLIC BASE ANALOGUES Amersham Pharmacia Biotech UK Limited (GB) 2000-01-26 EP disclosed
WO-1998043991-A1 TRICYCLIC BASE ANALOGUES AMERSHAM PHARMACIA BIOTECH UK LIMITED (GB) 1998-10-08 WO disclosed
US-5654307-A ANTICARCINOGENIC AGENTS, ANTIARTHRITIC AGENT, SKIN DISORDERS WARNER-LAMBERT COMPANY (US) 1997-08-05 US disclosed
EP-0742717-A1 BICYCLIC COMPOUNDS CAPABLE OF INHIBITING TYROSINE KINASES OF THE EPIDERMAL GROWTH FACTOR RECEPTOR FAMILY WARNER-LAMBERT COMPANY (US) 1996-11-20 EP disclosed
WO-1995019774-A1 BICYCLIC COMPOUNDS CAPABLE OF INHIBITING TYROSINE KINASES OF THE EPIDERMAL GROWTH FACTOR RECEPTOR FAMILY WARNER-LAMBERT COMPANY (US) 1995-07-27 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 (3 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-20010027197-A1 Bicyclic compounds capable of inhibiting tyrosine kinases of the epidermal growth factor receptor family EGFR, ERBB2, ERBB3 RET 9/4885PI4KA 549/4885XDH 205/4885
US-20030186987-A1 Bicyclic compounds capable of inhibiting tyrosine kinases of the epidermal growth factor receptor family EGFR, ERBB2, ERBB3 RET 14/4885PI4KA 1070/4885XDH 381/4885
US-20080081817-A1 Nitrogenous Fused Bicyclic Compound KCNH2, KCNN2, KCNN1 RET 1909/4885PI4KA 2240/4885XDH 1509/4885

“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.