SCHEMBL6837342

SCHEMBL6837342

O=c1[nH]cnc2nc(F)ccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 10/20 0.46
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
PDPK1 O15530 1/20 0.43
CA12 O43570 1/20 0.43
ALOX15 P16050 1/20 0.43
CA9 Q16790 1/20 0.43
TNKS2 Q9H2K2 1/20 0.43
PIM1 P11309 3/20 0.42
CHEK1 O14757 2/20 0.42
RPS6KA3 P51812 2/20 0.42
SRC P12931 1/20 0.42
TSHR P16473 2/20 0.42
LMNA P02545 1/20 0.42
ADORA2A P29274 1/20 0.42
SLC6A4 P31645 1/20 0.42
ADRA1A P35348 1/20 0.42
XDH P47989 1/20 0.42
RAB9A P51151 1/20 0.42
BLM P54132 1/20 0.42

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
SCHEMBL21808624 0.78 PARP1 (0.46) PARP1ALDH1A1SMN1; SMN2PDPK1CA12
SCHEMBL19153800 0.78 PARP1 (0.50) PARP1ALDH1A1SMN1; SMN2PDPK1CA12
SCHEMBL13853246 0.77 PARP1 (0.50) PARP1ALDH1A1SMN1; SMN2PDPK1CA12
SCHEMBL18237704 0.74 PARP1 (0.42) PARP1ALDH1A1SMN1; SMN2PDPK1CA12
SCHEMBL21339749 0.74 SRC (0.52) PARP1ALDH1A1SMN1; SMN2PDPK1CA12
SCHEMBL29329931 0.71 SMN1; SMN2 (0.40) PARP1ALDH1A1SMN1; SMN2PDPK1CA12
SCHEMBL6833189 0.70 PARP1 (0.50) PARP1ALDH1A1SMN1; SMN2PDPK1CA12
SCHEMBL29851253 0.70 PARP1 (0.40) PARP1ALDH1A1SMN1; SMN2PDPK1CA12
SCHEMBL334691 0.69 PARP1 (0.55) PARP1ALDH1A1SMN1; SMN2PDPK1CA12
SCHEMBL5138780 0.68 KDM4A (0.53) PARP1ALDH1A1SMN1; SMN2PDPK1CA12

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
EP-3372601-B1 NOVEL BICYCLIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORP (JP) 2022-09-21 EP disclosed
US-10793582-B2 Bicyclic heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2020-10-06 US disclosed
US-10793582-B2 Bicyclic heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2020-10-06 US disclosed
US-20190233438-A1 NOVEL BICYCLIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-08-01 US disclosed
US-20190233438-A1 NOVEL BICYCLIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-08-01 US disclosed
EP-3372601-A1 NOVEL BICYCLIC HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2018-09-12 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-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 (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-20010027197-A1 Bicyclic compounds capable of inhibiting tyrosine kinases of the epidermal growth factor receptor family EGFR, ERBB2, ERBB3 PARP1 4178/4885ALDH1A1 3410/4885SMN1; SMN2 4072/4885
US-20190233438-A1 NOVEL BICYCLIC HETEROCYCLIC COMPOUND KAT2A, KAT7, KAT5 PARP1 2444/4885ALDH1A1 2879/4885SMN1; SMN2 4513/4885
US-10793582-B2 Bicyclic heterocyclic compound KAT2A, KAT7, KAT5 PARP1 1596/4885ALDH1A1 2375/4885SMN1; SMN2 4455/4885
US-20030186987-A1 Bicyclic compounds capable of inhibiting tyrosine kinases of the epidermal growth factor receptor family EGFR, ERBB2, ERBB3 PARP1 4267/4885ALDH1A1 2883/4885SMN1; SMN2 3159/4885

“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.