SCHEMBL6836398

SCHEMBL6836398

S=c1[nH]cnc2ccncc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4A O75164 1/20 0.49
▸ KDM4B O94953 1/20 0.49
▸ KDM5C P41229 1/20 0.49
▸ KDM4C Q9H3R0 1/20 0.49
▸ KDM5B Q9UGL1 1/20 0.49
▸ KDM3A Q9Y4C1 1/20 0.49
▸ IP6K1 Q92551 1/20 0.36
▸ PARP1 P09874 7/20 0.36
▸ PDPK1 O15530 1/20 0.36
▸ CA12 O43570 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ TNKS2 Q9H2K2 1/20 0.36
▸ QPCT Q16769 1/20 0.36
▸ QPCTL Q9NXS2 1/20 0.36
▸ PPARG P37231 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ NCOA2 Q15596 1/20 0.36
▸ NCOA1 Q15788 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
SCHEMBL1178698 0.77 KDM4A (0.73) KDM4AKDM4BKDM5CKDM4CKDM5B
SCHEMBL914338 0.74 PDPK1 (0.59) IP6K1PARP1PDPK1CA12ALOX15
SCHEMBL29837279 0.71 — —
SCHEMBL89868 0.71 — —
SCHEMBL2447581 0.69 QPCT (0.50) KDM4AKDM4BKDM5CKDM4CKDM5B
SCHEMBL2447586 0.69 QPCT (0.50) KDM4AKDM4BKDM5CKDM4CKDM5B
SCHEMBL27982386 0.69 QPCT (0.50) KDM4AKDM4BKDM5CKDM4CKDM5B
Hydrazine SCHEMBL3450713 0.68 QPCT (0.49) KDM4AKDM4BKDM5CKDM4CKDM5B
SCHEMBL9263181 0.68 PARP1 (0.64) IP6K1PARP1PDPK1SMN1; SMN2QPCT
SCHEMBL27828038 0.68 PIM1 (0.64) PARP1SMN1; SMN2QPCTPPARGRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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 (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-20010027197-A1 Bicyclic compounds capable of inhibiting tyrosine kinases of the epidermal growth factor receptor family EGFR, ERBB2, ERBB3 KDM4A 2593/4885KDM4B 2106/4885KDM5C 1428/4885
US-20030186987-A1 Bicyclic compounds capable of inhibiting tyrosine kinases of the epidermal growth factor receptor family EGFR, ERBB2, ERBB3 KDM4A 2757/4885KDM4B 2281/4885KDM5C 1943/4885

“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.

Send feedback