SCHEMBL7657502

SCHEMBL7657502

Cc1cc2c(=O)[nH]cnc2cn1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 9/20 0.59
CHEK1 O14757 2/20 0.54
PIM1 P11309 2/20 0.54
RPS6KA3 P51812 1/20 0.54
IP6K1 Q92551 2/20 0.54
KDM4A O75164 1/20 0.51
KDM4B O94953 1/20 0.51
KDM5C P41229 1/20 0.51
KDM4C Q9H3R0 1/20 0.51
KDM5B Q9UGL1 1/20 0.51
KDM3A Q9Y4C1 1/20 0.51
AKT1 P31749 1/20 0.50
FLT3 P36888 1/20 0.50
PIM3 Q86V86 1/20 0.50
ACVR1 Q04771 4/20 0.49
MKNK1 Q9BUB5 1/20 0.49
SLC2A1 P11166 1/20 0.49
PDPK1 O15530 1/20 0.47
CA12 O43570 1/20 0.47
ALOX15 P16050 1/20 0.47

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
SCHEMBL19153580 0.85 PARP1 (0.59) PARP1CHEK1PIM1RPS6KA3IP6K1
SCHEMBL669366 0.78 PARP1 (0.59) PARP1CHEK1PIM1RPS6KA3IP6K1
SCHEMBL869256 0.78 PARP1 (0.59) PARP1CHEK1PIM1RPS6KA3IP6K1
SCHEMBL7970843 0.78 PARP1 (0.59) PARP1CHEK1PIM1RPS6KA3IP6K1
SCHEMBL18237710 0.77 PARP1 (0.50) PARP1CHEK1PIM1RPS6KA3IP6K1
SCHEMBL6769402 0.77 IP6K1 (0.58) PARP1CHEK1PIM1RPS6KA3IP6K1
SCHEMBL21331974 0.77 PARP1 (0.54) PARP1CHEK1PIM1RPS6KA3IP6K1
SCHEMBL10121482 0.77 PARP1 (0.62) PARP1CHEK1PIM1RPS6KA3IP6K1
SCHEMBL29605527 0.74 PARP1 (1.00) PARP1CHEK1PIM1RPS6KA3IP6K1
SCHEMBL1507614 0.74 PARP1 (1.00) PARP1CHEK1PIM1RPS6KA3IP6K1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO, INC. 2017-07-20 US disclosed
US-6413971-B1 ANTIPROLIFERATIVE, -CARCINOGENIC, -TUMOR AND -DIABETIC AGENTS; BINDING TO OR MODULATING THE HUMAN KINASE INSERT-DOMAIN-CONTAINING RECEPTOR (KDR) OR THE MURINE FETAL LIVER KINASE 1 (FLK-1) RECEPTOR; VASCULOGENESIS; ANGIOGENESIS PFIZER INC 2002-07-02 US disclosed
US-6395733-B1 ANTICANCER AGENTS; ANTIPROLIFERATIVE AGENTS PFIZER INC 2002-05-28 US disclosed
US-20020045630-A1 FUSED BICYCLIC PYRIMIDINE DERIVATIVES ARNOLD LEE DANIEL (US) 2002-04-18 US disclosed
EP-0946554-A1 FUSED BICYCLIC PYRIMIDINE DERIVATIVES PFIZER INC. (US) 1999-10-06 EP disclosed
EP-0831829-A4 HETEROCYCLIC RING-FUSED PYRIMIDINE DERIVATIVES PFIZER (US) 1998-11-25 EP disclosed
WO-1998023613-A1 FUSED BICYCLIC PYRIMIDINE DERIVATIVES PFIZER INC. (US) 1998-06-04 WO disclosed
EP-0831829-A1 HETEROCYCLIC RING-FUSED PYRIMIDINE DERIVATIVES PFIZER INC. (US) 1998-04-01 EP disclosed
WO-1996040142-A1 HETEROCYCLIC RING-FUSED PYRIMIDINE DERIVATIVES PFIZER INC. (US) 1996-12-19 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-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME CD44, MSN, AS3MT PARP1 2195/4885CHEK1 628/4885PIM1 1212/4885
US-20020045630-A1 FUSED BICYCLIC PYRIMIDINE DERIVATIVES REV1, DPYD, CCNA1 PARP1 62/4885CHEK1 194/4885PIM1 794/4885

“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.