SCHEMBL8404501

SCHEMBL8404501

Cc1ccc2c(C)onc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.42
CHEK1 O14757 1/20 0.39
PARP1 P09874 1/20 0.39
PIM1 P11309 1/20 0.39
RPS6KA3 P51812 1/20 0.39
NQO2 P16083 1/20 0.39
CYP1A2 P05177 1/20 0.39
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 4/20 0.39
MAPT P10636 3/20 0.39
LMNA P02545 1/20 0.39
HTR1A P08908 2/20 0.37
ADRA1D P25100 2/20 0.37
ADRA1A P35348 2/20 0.37
ADRA1B P35368 2/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 2/20 0.36

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
SCHEMBL8404510 0.83 DYRK1A (0.54) DYRK1APARP1NQO2ALDH1A1KDM4E
SCHEMBL9954949 0.79 LMNA (0.39) CHEK1PARP1PIM1RPS6KA3NQO2
SCHEMBL14353775 0.79 MPO (0.41) DYRK1ANQO2CYP1A2ALDH1A1KDM4E
SCHEMBL18822704 0.79 DYRK1A (0.40) DYRK1APARP1
SCHEMBL24943958 0.76 DYRK1A (0.38) DYRK1AALDH1A1MAPTLMNANPC1
SCHEMBL6260259 0.74 IP6K1 (0.52) ALDH1A1KDM4EMAPTLMNANPC1
SCHEMBL10396438 0.74 ALDH1A1 (0.54) ALDH1A1KDM4EMAPTLMNANPC1
SCHEMBL1423001 0.73 GPR3 (0.46) DYRK1ACYP1A2ALDH1A1MAPTLMNA
SCHEMBL5697350 0.71 GPR3 (0.45) DYRK1ACYP1A2ALDH1A1MAPTLMNA
SCHEMBL2756743 0.69 CYP1A2 (0.46) CHEK1PARP1PIM1RPS6KA3NQO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022003575-A1 HER2 MUTATION INHIBITORS ARRAY BIOPHARMA INC. (US) 2022-01-06 WO disclosed
US-20170121315-A1 HETEROBICYCLICALLY SUBSTITUTED 4-OXOBUTANE ACID DERIVATIVES AND USE THEREOF Bayer Pharma AG (DE) 2017-05-04 US disclosed
US-20170121315-A1 HETEROBICYCLICALLY SUBSTITUTED 4-OXOBUTANE ACID DERIVATIVES AND USE THEREOF Bayer Pharma AG (DE) 2017-05-04 US disclosed
US-9527828-B2 Method for expanding hematopoietic stem cells using heterocyclic compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-12-27 US disclosed
US-9527828-B2 Method for expanding hematopoietic stem cells using heterocyclic compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-12-27 US disclosed
US-9328085-B2 Heterocyclic compounds and expansion agents for hematopoietic stem cells NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-05-03 US disclosed
US-9328085-B2 Heterocyclic compounds and expansion agents for hematopoietic stem cells NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-05-03 US disclosed
US-20140227780-A1 METHOD FOR PRODUCING MEGAKARYOCYTES AND/OR PLATELETS FROM PLURIPOTENT STEM CELLS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2014-08-14 US disclosed
US-20140227780-A1 METHOD FOR PRODUCING MEGAKARYOCYTES AND/OR PLATELETS FROM PLURIPOTENT STEM CELLS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2014-08-14 US disclosed
US-20130245255-A1 HETEROCYCLIC COMPOUNDS AND EXPANSION AGENTS FOR HEMATOPOIETIC STEM CELLS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-09-19 US disclosed
US-20130245255-A1 HETEROCYCLIC COMPOUNDS AND EXPANSION AGENTS FOR HEMATOPOIETIC STEM CELLS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-09-19 US disclosed
US-20120128640-A1 HETEROCYCLIC COMPOUNDS AND EXPANSION AGENTS FOR HEMATOPOIETIC STEM CELLS NISSAN CHEMICAL INDUSTRIES LTD. (JP) 2012-05-24 US disclosed
US-20120128640-A1 HETEROCYCLIC COMPOUNDS AND EXPANSION AGENTS FOR HEMATOPOIETIC STEM CELLS NISSAN CHEMICAL INDUSTRIES LTD. (JP) 2012-05-24 US disclosed
US-20100266556-A1 METHOD FOR EXPANDING HEMATOPOIETIC STEM CELLS USING HETEROCYCLIC COMPOUND NISSAN CHEMICAL INDUSTRIES LTD. (JP) 2010-10-21 US disclosed
US-20100266556-A1 METHOD FOR EXPANDING HEMATOPOIETIC STEM CELLS USING HETEROCYCLIC COMPOUND NISSAN CHEMICAL INDUSTRIES LTD. (JP) 2010-10-21 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 (4 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-20130245255-A1 HETEROCYCLIC COMPOUNDS AND EXPANSION AGENTS FOR HEMATOPOIETIC STEM CELLS HCLS1, RUNX1, RCC1 DYRK1A 4180/4885CHEK1 3294/4885PARP1 987/4885
US-20120128640-A1 HETEROCYCLIC COMPOUNDS AND EXPANSION AGENTS FOR HEMATOPOIETIC STEM CELLS HCLS1, RUNX1, RCC1 DYRK1A 4180/4885CHEK1 3294/4885PARP1 987/4885
US-20100266556-A1 METHOD FOR EXPANDING HEMATOPOIETIC STEM CELLS USING HETEROCYCLIC COMPOUND HCLS1, RUNX1, ACIN1 DYRK1A 4304/4885CHEK1 3339/4885PARP1 1867/4885
US-20170121315-A1 HETEROBICYCLICALLY SUBSTITUTED 4-OXOBUTANE ACID DERIVATIVES AND USE THEREOF ABAT, HADHB, CYP11B2 DYRK1A 2414/4885CHEK1 3309/4885PARP1 2972/4885

“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.