SCHEMBL216175

SCHEMBL216175

O=c1nc[nH]c2ccc(I)cc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.54
HTR1A P08908 2/20 0.37
HTR7 P34969 2/20 0.37
HTR6 P50406 2/20 0.37
IDO1 P14902 1/20 0.36
SLC6A4 P31645 1/20 0.36
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35
TUBB3 Q13509 1/20 0.35
TUBB2A Q13885 1/20 0.35
TUBB8 Q3ZCM7 1/20 0.35
TUBA3E Q6PEY2 1/20 0.35
TUBA1A Q71U36 1/20 0.35
TUBA1C Q9BQE3 1/20 0.35
TUBB6 Q9BUF5 1/20 0.35
TUBB2B Q9BVA1 1/20 0.35

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
SCHEMBL8522251 0.87 PARP1 (0.43) PARP1HTR6IDO1SLC6A4MEN1
SCHEMBL144025 0.85 PARP1 (0.50) PARP1FLT3MEN1ALDH1A1PRNP
SCHEMBL8622177 0.79 ACVR1 (0.46) PARP1FLT3MEN1ALDH1A1PRNP
SCHEMBL1584889 0.79 PIM1 (0.56) IDO1FLT3MEN1ALDH1A1PRNP
SCHEMBL1507612 0.78 PARP1 (0.54) PARP1IDO1MEN1ALDH1A1HPGD
SCHEMBL8700858 0.78 PARP1 (0.54) PARP1ALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL2191063 0.78 PARP1 (0.54) PARP1HTR1AIDO1ALDH1A1HTT
SCHEMBL2574527 0.78 LMNA (0.57) PARP1HTR1AHTR7HTR6SLC6A4
SCHEMBL2191001 0.78 PARP1 (0.54) PARP1IDO1FLT3ALDH1A1HPGD
SCHEMBL9514887 0.75 IP6K1 (0.41) PARP1FLT3MEN1ALDH1A1PRNP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111072576-A Preparation method of lapatinib key intermediate 南京奇可药业有限公司 2020-04-28 CN claimed
US-10717711-B2 Amino quinazolines as kinase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-07-21 US disclosed
CN-111072576-A Preparation method of lapatinib key intermediate 南京奇可药业有限公司 2020-04-28 CN disclosed
US-20190194145-A1 AMINO QUINAZOLINES AS KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-06-27 US disclosed
US-20180258056-A1 AMINO QUINAZOLINES AS KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-09-13 US disclosed
US-9994529-B2 Amino quinazolines as kinase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-06-12 US disclosed
EP-1966214-B9 TRIAZOLOPYRIDAZINES AS TYROSINE KINASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2017-09-13 EP disclosed
US-20170152233-A1 AMINO QUINAZOLINES AS KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-06-01 US disclosed
US-9604938-B2 Amino quinazolines as kinase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-03-28 US disclosed
EP-2744501-B1 AMINO QUINAZOLINES AS KINASE INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2016-11-30 EP disclosed
US-20030055049-A1 Heteroaromatic bicyclic derivatives useful as anticancer agents PFIZER INC. 2003-03-20 US disclosed
US-6465449-B1 SUCH AS (6-(4-(6-AMINO-3-AZA-BICYCLO(3.1.0)HEX-3-YLMETHYL)-PHENYL)-QUINAZOLIN-4-YL) -(4-PHENOXY-PHENYL)-AMINE PFIZER INC. 2002-10-15 US disclosed
US-20020147214-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
CN-1333758-A Substituted bicyclic derivatives useful as anticancer agents PFIZER PROD INC (US) 2002-01-30 CN disclosed
US-20010034351-A1 Substituted bicyclic derivatives useful as anticancer agents KATH JOHN CHARLES (US) 2001-10-25 US disclosed
EP-1147093-A1 SUBSTITUTED BICYCLIC DERIVATIVES USEFUL AS ANTICANCER AGENTS Pfizer Products Inc. (US) 2001-10-24 EP disclosed
US-6284764-B1 ANTIPROLIFERATIVE AGENT PFIZER INC. 2001-09-04 US disclosed
EP-1029853-A1 Heteroaromatic bicyclic derivatives useful as anticancer agents Pfizer Products Inc. (US) 2000-08-23 EP disclosed
WO-2000044728-A1 SUBSTITUTED BICYCLIC DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER PRODUCTS INC. (US) 2000-08-03 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-20180258056-A1 AMINO QUINAZOLINES AS KINASE INHIBITORS ABL1, MAP3K3, MAP4K2 PARP1 822/4885HTR1A 1337/4885HTR7 1195/4885
US-20190194145-A1 AMINO QUINAZOLINES AS KINASE INHIBITORS ABL1, MAP3K3, MAP4K2 PARP1 822/4885HTR1A 1337/4885HTR7 1195/4885
US-20020147214-A1 Heterocyclic compounds BRAF, ABL1, CSK PARP1 1602/4885HTR1A 2022/4885HTR7 972/4885
US-20030055049-A1 Heteroaromatic bicyclic derivatives useful as anticancer agents RCC1, CCNA1, MCL1 PARP1 386/4885HTR1A 1822/4885HTR7 3375/4885
US-20010034351-A1 Substituted bicyclic derivatives useful as anticancer agents CCNA1, MCL1, RCC1 PARP1 325/4885HTR1A 3357/4885HTR7 4261/4885
US-20170152233-A1 AMINO QUINAZOLINES AS KINASE INHIBITORS ABL1, MAP3K3, MAP4K2 PARP1 822/4885HTR1A 1337/4885HTR7 1195/4885
US-10717711-B2 Amino quinazolines as kinase inhibitors ABL1, MAP3K3, MAP4K2 PARP1 822/4885HTR1A 1337/4885HTR7 1195/4885

“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.