SCHEMBL13659505

SCHEMBL13659505

Cc1ccc2nc[nH]c(=O)c2c1C

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 11/20 0.64
ACVR1 Q04771 2/20 0.54
PDPK1 O15530 2/20 0.46
CHEK1 O14757 2/20 0.46
PIM1 P11309 2/20 0.46
RPS6KA3 P51812 1/20 0.46
CA12 O43570 1/20 0.43
ALOX15 P16050 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CA9 Q16790 1/20 0.43
TNKS2 Q9H2K2 1/20 0.43
IP6K1 Q92551 1/20 0.42
AKT1 P31749 1/20 0.42
FLT3 P36888 1/20 0.42
PIM3 Q86V86 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
SCHEMBL22832038 0.82 PARP1 (0.56) PARP1ACVR1PDPK1CHEK1PIM1
SCHEMBL11489074 0.82 PARP1 (0.60) PARP1ACVR1PDPK1CHEK1PIM1
SCHEMBL21550782 0.82 PARP1 (0.60) PARP1ACVR1PDPK1CHEK1PIM1
SCHEMBL11485473 0.82 PARP1 (0.60) PARP1ACVR1PDPK1CHEK1PIM1
SCHEMBL24854273 0.80 PARP1 (0.57) PARP1ACVR1PDPK1CHEK1PIM1
SCHEMBL23588625 0.80 PARP1 (0.57) PARP1ACVR1PDPK1CHEK1PIM1
SCHEMBL24804401 0.80 PARP1 (0.57) PARP1ACVR1PDPK1CHEK1PIM1
SCHEMBL2317275 0.78 PARP1 (1.00) PARP1ACVR1PDPK1CHEK1PIM1
SCHEMBL29563063 0.78 PARP1 (1.00) PARP1ACVR1PDPK1CHEK1PIM1
SCHEMBL20435417 0.78 PARP1 (0.54) PARP1ACVR1PDPK1CHEK1PIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230002382-A1 SPIRO RING-CONTAINING QUINAZOLINE COMPOUNDS Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2023-01-05 US disclosed
WO-2021129820-A1 SPIRO RING-CONTAINING QUINAZOLINE COMPOUND 微境生物医药科技(上海)有限公司 2021-07-01 WO disclosed
US-20180215737-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND PREPARATION AND USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2018-08-02 US disclosed
US-20090258852-A1 Inhibitors of Checkpoint Kinases MERCK SHARP & DOHME CORP. 2009-10-15 US 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-20090258852-A1 Inhibitors of Checkpoint Kinases CHEK1, CHEK2, CDKN1A PARP1 193/4885ACVR1 1644/4885PDPK1 108/4885
US-20230002382-A1 SPIRO RING-CONTAINING QUINAZOLINE COMPOUNDS KRAS, NRAS, HRAS PARP1 2399/4885ACVR1 4208/4885PDPK1 389/4885
US-20180215737-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND PREPARATION AND USES THEREOF HCRTR1, HCRTR2, NPY5R PARP1 3285/4885ACVR1 3944/4885PDPK1 494/4885

“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.