SCHEMBL144026

SCHEMBL144026

O=c1[nH]cnc2cc(I)ccc12

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 10/20 0.74
CHEK1 O14757 2/20 0.64
PIM1 P11309 2/20 0.64
ALDH1A1 P00352 1/20 0.64
RPS6KA3 P51812 1/20 0.64
PDPK1 O15530 1/20 0.56
CA12 O43570 1/20 0.56
ALOX15 P16050 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
CA9 Q16790 1/20 0.56
TNKS2 Q9H2K2 1/20 0.56
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

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
SCHEMBL7200696 0.87 PARP1 (0.57) PARP1CHEK1PIM1ALDH1A1RPS6KA3
SCHEMBL29701199 0.85 PARP1 (1.00) PARP1CHEK1PIM1ALDH1A1PDPK1
SCHEMBL216176 0.85 PARP1 (1.00) PARP1CHEK1PIM1ALDH1A1PDPK1
SCHEMBL643424 0.78 ALDH1A1 (1.00) PARP1CHEK1PIM1ALDH1A1RPS6KA3
SCHEMBL29873118 0.78 PARP1 (0.74) PARP1CHEK1PIM1ALDH1A1RPS6KA3
SCHEMBL1690531 0.78 PARP1 (1.00) PARP1CHEK1PIM1ALDH1A1RPS6KA3
SCHEMBL24819 0.78 PARP1 (0.74) PARP1CHEK1PIM1ALDH1A1RPS6KA3
SCHEMBL391295 0.78 PIM1 (0.74) PARP1CHEK1PIM1ALDH1A1RPS6KA3
SCHEMBL29967106 0.78 PARP1 (0.74) PARP1CHEK1PIM1ALDH1A1RPS6KA3
SCHEMBL29898482 0.78 ALDH1A1 (1.00) PARP1CHEK1PIM1ALDH1A1RPS6KA3

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 60 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
WO-2020108579-A1 AMINO-SUBSTITUTED PYRIDONE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL USE THEREOF 上海海雁医药科技有限公司 2020-06-04 WO disclosed
US-10196383-B2 Substituted quinazoline compounds and preparation and uses thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2019-02-05 US disclosed
US-20180215737-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND PREPARATION AND USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2018-08-02 US 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-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 (8 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-10196383-B2 Substituted quinazoline compounds and preparation and uses thereof HCRTR1, HCRTR2, NPY5R PARP1 3285/4885CHEK1 3864/4885PIM1 4472/4885
US-20020147205-A1 Heterocyclic compounds ERBB2, ERBB3, ERBB4 PARP1 2109/4885CHEK1 562/4885PIM1 582/4885
US-20160339027-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, ERBB2, SRC PARP1 3104/4885CHEK1 286/4885PIM1 342/4885
US-20020147214-A1 Heterocyclic compounds BRAF, ABL1, CSK PARP1 1602/4885CHEK1 73/4885PIM1 401/4885
US-20150366868-A1 CANCER TREATMENT METHOD TP53, HNMT, TOP2B PARP1 842/4885CHEK1 169/4885PIM1 3599/4885
US-20160051551-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, ERBB2, SRC PARP1 3104/4885CHEK1 286/4885PIM1 342/4885
US-20150065527-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, ERBB2, SRC PARP1 3104/4885CHEK1 286/4885PIM1 342/4885
US-20180215737-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND PREPARATION AND USES THEREOF HCRTR1, HCRTR2, NPY5R PARP1 3285/4885CHEK1 3864/4885PIM1 4472/4885

“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.