SCHEMBL8404450

SCHEMBL8404450

Cc1ccc2cnnc(C)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 5/20 0.42
▸ CYP2A6 P11509 4/20 0.42
▸ KDM4E B2RXH2 3/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ GRM5 P41594 1/20 0.37
▸ C1S P09871 1/20 0.36
▸ LMNA P02545 4/20 0.36
▸ CCR1 P32246 1/20 0.34
▸ CCR5 P51681 1/20 0.34
▸ CCR8 P51685 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ NCK1 P16333 1/20 0.34
▸ BACE1 P56817 1/20 0.34

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
SCHEMBL8404453 0.83 C1S (0.43) CYP1A2CYP2A6KDM4ESMN1; SMN2MEN1
SCHEMBL18630251 0.80 CYP1A2 (0.39) CYP1A2CYP2A6KDM4ESMN1; SMN2MEN1
SCHEMBL8214263 0.80 C1S (0.51) CYP1A2CYP2A6KDM4ESMN1; SMN2MEN1
SCHEMBL18630340 0.80 TYMS (0.37) CYP1A2KDM4ESMN1; SMN2MEN1NPC1
SCHEMBL14493627 0.77 LMNA (0.42) CYP1A2CYP2A6KDM4ESMN1; SMN2MAPT
SCHEMBL30502558 0.76 METAP2 (0.41) KDM4EMEN1KMT2AGRM5BACE1
SCHEMBL291004 0.74 LMNA (0.52) CYP1A2CYP2A6KDM4ESMN1; SMN2MEN1
SCHEMBL21512319 0.72 CYP1A2 (0.48) CYP1A2CYP2A6KDM4ESMN1; SMN2NPC1
SCHEMBL18609173 0.71 CYP1A2 (0.50) CYP1A2CYP2A6KDM4EMEN1MAPT
SCHEMBL19153319 0.71 MAOA (0.37) CYP1A2CYP2A6KDM4ESMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109843874-B Phthalazine derivatives useful as inhibitors of PARP1, PARP2 and/or tubulin for the treatment of cancer 加利福尼亚大学董事会 2022-05-27 — — CN disclosed
EP-3290415-A1 OPIOID RECEPTOR LIGANDS AND METHODS OF USING AND MAKING SAME Trevena, Inc. (US) 2018-03-07 — — EP 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
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-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
WO-2013051625-A1 METHOD FOR PRODUCING MEGAKARYOCYTES AND/OR PLATELETS FROM PLURIPOTENT STEM CELLS 日産化学工業株式会社 (JP) 2013-04-11 — — WO 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
US-4871848-A OIL, GAS WELLS CORROSION INHIBITORS THE DOW CHEMICAL COMPANY (US) 1989-10-03 — — US disclosed
US-4740320-A REACTION OF NITROGEN-CONTAINING AROMATIC HETEROCYCLIC COMPONENT, KETONE OR ALDEHYDE, AMINE OR POLYAMINE THE DOW CHEMICAL COMPANY (US) 1988-04-26 — — 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 (3 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 CYP1A2 2162/4885CYP2A6 2056/4885KDM4E 2096/4885
US-20120128640-A1 HETEROCYCLIC COMPOUNDS AND EXPANSION AGENTS FOR HEMATOPOIETIC STEM CELLS HCLS1, RUNX1, RCC1 CYP1A2 2162/4885CYP2A6 2056/4885KDM4E 2096/4885
US-20100266556-A1 METHOD FOR EXPANDING HEMATOPOIETIC STEM CELLS USING HETEROCYCLIC COMPOUND HCLS1, RUNX1, ACIN1 CYP1A2 2808/4885CYP2A6 2755/4885KDM4E 2880/4885

“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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