SCHEMBL144025

SCHEMBL144025

O=c1nc[nH]c2cc(I)ccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 7/20 0.50
▸ ALDH1A1 P00352 2/20 0.35
▸ CHEK1 O14757 2/20 0.35
▸ PIM1 P11309 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ PRNP P04156 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ AKT1 P31749 1/20 0.35
▸ FLT3 P36888 1/20 0.35
▸ PIM3 Q86V86 1/20 0.35
▸ RPS6KA3 P51812 1/20 0.35
▸ QPCT Q16769 1/20 0.35
▸ CCNB2 O95067 1/20 0.33
▸ CDK1 P06493 1/20 0.33
▸ CCNB1 P14635 1/20 0.33
▸ GSK3A P49840 1/20 0.33

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
SCHEMBL216175 0.85 PARP1 (0.54) PARP1ALDH1A1CHEK1PIM1MEN1
SCHEMBL7200691 0.83 PARP1 (0.40) PARP1ALDH1A1CHEK1PIM1RPS6KA3
SCHEMBL12489082 0.79 PIM1 (0.51) ALDH1A1CHEK1PIM1MEN1KMT2A
SCHEMBL29638516 0.78 PARP1 (0.54) PARP1ALDH1A1CHEK1PIM1MEN1
SCHEMBL1663769 0.78 PRKCI (0.56) PARP1ALDH1A1CHEK1PIM1MEN1
SCHEMBL1663176 0.78 LMNA (0.51) PARP1ALDH1A1MEN1KMT2APRNP
SCHEMBL13003705 0.78 PARP1 (0.54) PARP1ALDH1A1CHEK1PIM1MEN1
SCHEMBL2191216 0.78 ALDH1A1 (0.55) PARP1ALDH1A1PIM1SMN1; SMN2PIM3
SCHEMBL1345856 0.78 PARP1 (0.50) PARP1CHEK1
SCHEMBL29798728 0.78 PARP1 (0.50) PARP1CHEK1

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 50 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118575818-A Application of compound shown in formula (I) in preventing and treating agricultural plant pathogenic fungal diseases 广西田园生化股份有限公司 2024-09-03 — — CN disclosed
US-20160339027-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2016-11-24 — — US disclosed
US-20160051551-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2016-02-25 — — US disclosed
US-20150366868-A1 CANCER TREATMENT METHOD NOVARTIS AG (CH) 2015-12-24 — — US disclosed
US-9199973-B2 Bicyclic heteroaromatic compounds as protein tyrosine kinase inhibitors NOVARTIS AG (CH) 2015-12-01 — — US disclosed
US-20150065527-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2015-03-05 — — US disclosed
US-8912205-B2 Bicyclic heteroaromatic compounds as protein tyrosine kinase inhibitors GLAXOSMITHKLINE LLC (US) 2014-12-16 — — US disclosed
US-20130310562-A1 Bicyclic Heteroaromatic Compounds As Protein Tyrosine Kinase Inhibitors GLAXOSMITHKLINE LLC (US) 2013-11-21 — — US disclosed
US-8513262-B2 Bicyclic heteroaromatic compounds as protein tyrosine kinase inhibitors GLAXOSMITHKLINE LLC (US) 2013-08-20 — — US disclosed
US-8444988-B2 Cancer treatment method GLAXOSMITHKLINE LLC (US) 2013-05-21 — — US disclosed
US-20020147214-A1 Heterocyclic compounds NOVARTIS AG (CH) 2002-10-10 — — US disclosed
US-20020147205-A1 Heterocyclic compounds NOVARTIS AG (CH) 2002-10-10 — — US disclosed
US-6391874-B1 ANTICARCINOGENIC AGENTS; SKIN DISORDERS SMITHKLINE BEECHAM CORPORATION 2002-05-21 — — US disclosed
EP-1192151-A1 ANILINOQUINAZOLINES AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2002-04-03 — — EP disclosed
WO-2001004111-A1 ANILINOQUINAZOLINES AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2001-01-18 — — WO disclosed
EP-1047694-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2000-11-02 — — EP disclosed
WO-1999035132-A1 HETEROCYCLIC COMPOUNDS GLAXO GROUP LIMITED (GB) 1999-07-15 — — WO disclosed
WO-1999035146-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 1999-07-15 — — WO disclosed
EP-0912559-A1 FUSED HETEROCYCLIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 1999-05-06 — — EP disclosed
WO-1998002434-A1 FUSED HETEROCYCLIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 1998-01-22 — — 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 (7 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-20020147205-A1 Heterocyclic compounds ERBB2, ERBB3, ERBB4 PARP1 2109/4885ALDH1A1 4056/4885CHEK1 562/4885
US-20160339027-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, ERBB2, SRC PARP1 3104/4885ALDH1A1 3379/4885CHEK1 286/4885
US-20020147214-A1 Heterocyclic compounds BRAF, ABL1, CSK PARP1 1602/4885ALDH1A1 4024/4885CHEK1 73/4885
US-20150366868-A1 CANCER TREATMENT METHOD TP53, HNMT, TOP2B PARP1 842/4885ALDH1A1 315/4885CHEK1 169/4885
US-20130310562-A1 Bicyclic Heteroaromatic Compounds As Protein Tyrosine Kinase Inhibitors ABL1, ERBB2, SRC PARP1 3104/4885ALDH1A1 3379/4885CHEK1 286/4885
US-20160051551-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, ERBB2, SRC PARP1 3104/4885ALDH1A1 3379/4885CHEK1 286/4885
US-20150065527-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, ERBB2, SRC PARP1 3104/4885ALDH1A1 3379/4885CHEK1 286/4885

“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.

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