SCHEMBL8404371

SCHEMBL8404371

Cc1cc(C)c2[nH]cnc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.43
CHEK1 O14757 1/20 0.43
PIM1 P11309 1/20 0.43
RPS6KA3 P51812 1/20 0.43
MAPT P10636 4/20 0.41
HSD17B10 Q99714 2/20 0.36
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.34
RXFP1 Q9HBX9 1/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 2/20 0.33
APEX1 P27695 1/20 0.33
RECQL P46063 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
SCHEMBL539264 0.79 PARP1 (0.41) PARP1CHEK1PIM1RPS6KA3MAPT
SCHEMBL4157384 0.79 PARP1 (0.41) PARP1CHEK1PIM1RPS6KA3MAPT
SCHEMBL20125038 0.79 PARP1 (0.41) PARP1CHEK1PIM1RPS6KA3MAPT
SCHEMBL18687816 0.79 PARP1 (0.44) PARP1CHEK1PIM1RPS6KA3MAPT
SCHEMBL29260806 0.79 ALDH1A1 (0.41) PARP1CHEK1PIM1RPS6KA3MAPT
SCHEMBL29260807 0.79 ALDH1A1 (0.41) PARP1CHEK1PIM1RPS6KA3MAPT
SCHEMBL31056362 0.79 NQO2 (0.38) PARP1CHEK1PIM1RPS6KA3MAPT
SCHEMBL2418830 0.79 NQO2 (0.38) PARP1CHEK1PIM1RPS6KA3MAPT
SCHEMBL7090538 0.79 PRKCI (0.41) PARP1CHEK1PIM1RPS6KA3MAPT
SCHEMBL15756184 0.78 POLB (0.38) PARP1CHEK1PIM1RPS6KA3MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017160361-A1 POLYISOCYANURATE CATALYSTS FOR METAL PANELS AND SPRAY FOAMS HUNTSMAN PETROCHEMICAL LLC (US) 2017-09-21 WO claimed
WO-2017160361-A1 POLYISOCYANURATE CATALYSTS FOR METAL PANELS AND SPRAY FOAMS HUNTSMAN PETROCHEMICAL LLC (US) 2017-09-21 WO disclosed
US-20170174689-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2017-06-22 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
EP-2376484-B1 OXADIAZOLE FUSED HETEROCYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF MULTIPLE SCLEROSIS MERCK SERONO SA (CH) 2015-04-22 EP 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
EP-2765187-A1 METHOD FOR PRODUCING MEGAKARYOCYTES AND/OR PLATELETS FROM PLURIPOTENT STEM CELLS Nissan Chemical Industries, Ltd. (JP) 2014-08-13 EP disclosed
US-20120128640-A1 HETEROCYCLIC COMPOUNDS AND EXPANSION AGENTS FOR HEMATOPOIETIC STEM CELLS NISSAN CHEMICAL INDUSTRIES LTD. (JP) 2012-05-24 US disclosed
EP-0518949-B1 NOVEL HETEROCYCLIC NITROGEN COMPOUND MANNICH BASE DERIVATIVES OF AMINO-SUBSTITUTED POLYMERS FOR OLEAGINOUS COMPOSITIONS EXXON CHEMICAL PATENTS INC (US) 1994-06-22 EP disclosed
US-5273671-A Reaction product of ethylene/alpha-olefin copolymer, polyamine, aldehyde and a benzotriazole or benzimidazole EXXON CHEMICAL PATENTS INC. (US) 1993-12-28 US disclosed
US-5271856-A Heterocyclic nitrogen compound Mannich base derivatives of amino-substituted polymers for oleaginous compositions EXXON CHEMICAL PATENTS INC. (US) 1993-12-21 US disclosed
US-5232615-A Reacting an amine with halogenated polyolefin to form adduct and contacting adduct with an aldehyde and a heterocyclic reactant to form an oil soluble, oxidation resistance dispersant for fuels EXXON CHEMICAL PATENTS INC. (US) 1993-08-03 US disclosed
US-5211865-A Oil soluble ethylene copolymer with alpha-olefin and grafted carboxylic acid and anhydride with polyamine, an anhydride and heterocycle EXXON CHEMICAL PATENTS INC. (US) 1993-05-18 US disclosed
EP-0520012-A1 IMPROVED MULTIFUNCTIONAL VISCOSITY INDEX IMPROVER-DISPERSANT ANTIOXIDANT (PT-789). EXXON CHEMICAL PATENTS INC (US) 1992-12-30 EP disclosed
EP-0518949-A1 NOVEL HETEROCYCLIC NITROGEN COMPOUND MANNICH BASE DERIVATIVES OF AMINO-SUBSTITUTED POLYMERS FOR OLEAGINOUS COMPOSITIONS. EXXON CHEMICAL PATENTS INC (US) 1992-12-23 EP disclosed
WO-1991013952-A1 IMPROVED MULTIFUNCTIONAL VISCOSITY INDEX IMPROVER-DISPERSANT ANTIOXIDANT (PT-789) EXXON CHEMICAL PATENTS INC. (US) 1991-09-19 WO disclosed
WO-1991013954-A1 NOVEL HETEROCYCLIC NITROGEN COMPOUND MANNICH BASE DERIVATIVES OF AMINO-SUBSTITUTED POLYMERS FOR OLEAGINOUS COMPOSITIONS EXXON CHEMICAL PATENTS INC. (US) 1991-09-19 WO disclosed
US-4094811-A REDUCING SILVER SALTS IN THE PRESENCE OF A HETEROCYCLIC 5- OR 6-MEMBERED NITROGEN COMPOUND AGFA-GEVAERT AKTIENGESELLSCHAFT (DT) 1978-06-13 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 (2 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-20120128640-A1 HETEROCYCLIC COMPOUNDS AND EXPANSION AGENTS FOR HEMATOPOIETIC STEM CELLS HCLS1, RUNX1, RCC1 PARP1 987/4885CHEK1 3294/4885PIM1 3338/4885
US-20170174689-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCL3 PARP1 248/4885CHEK1 1885/4885PIM1 71/4885

“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.