SCHEMBL869102

SCHEMBL869102

CN(C)c1cccc2cccnc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.54
MAPT P10636 3/20 0.54
LMNA P02545 3/20 0.54
CCR1 P32246 3/20 0.54
CCR5 P51681 3/20 0.54
CCR8 P51685 3/20 0.54
MMP2 P08253 2/20 0.54
TSHR P16473 2/20 0.54
ALOX15 P16050 2/20 0.54
HTT P42858 2/20 0.54
GMNN O75496 1/20 0.54
TP53 P04637 1/20 0.54
HSP90AA1 P07900 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
MMP9 P14780 1/20 0.54
NFKB1 P19838 1/20 0.54
MMP8 P22894 1/20 0.54
THPO P40225 1/20 0.54
MTOR P42345 1/20 0.54

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
SCHEMBL7047557 0.83 KDM4E (0.58) KDM4EMAPTLMNACCR1CCR5
SCHEMBL17199419 0.82 KDM4E (0.48) KDM4EMAPTLMNACCR1CCR5
SCHEMBL9879277 0.80 KDM4E (0.46) KDM4EMAPTLMNACCR1CCR5
SCHEMBL27976332 0.80 KDM4E (0.45) KDM4EMAPTLMNACCR1CCR5
SCHEMBL15381492 0.80 LMNA (0.50) KDM4EMAPTLMNACCR1CCR5
SCHEMBL24113680 0.79 LMNA (0.59) KDM4EMAPTLMNACCR1CCR5
SCHEMBL13021651 0.79 KDM4E (0.54) KDM4EMAPTLMNACCR1CCR5
SCHEMBL9184043 0.79 MAPT (0.50) KDM4EMAPTLMNACCR1CCR5
SCHEMBL22073007 0.78 MMP2 (0.46) KDM4EMAPTLMNACCR1CCR5
SCHEMBL22072300 0.78 LMNA (0.49) KDM4EMAPTLMNACCR1CCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023005191-A1 NITROGEN-CONTAINING COMPOUND, AND ORGANIC ELECTROLUMINESCENT DEVICE AND ELECTRONIC APPARATUS CONTAINING SAME 陕西莱特光电材料股份有限公司 2023-02-02 WO disclosed
WO-2023001061-A1 CDK7 SELECTIVE INHIBITORS AS ANTICANCER AGENTS JINGRUI BIOPHARMA CO., LTD. (CN) 2023-01-26 WO disclosed
US-11532790-B2 Composition and light emitting device using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2022-12-20 US disclosed
CN-113474044-A Bicyclic derivatives 瑞士伊兰科动物保健有限公司 2021-10-01 CN disclosed
WO-2021135182-A1 NITROGEN-CONTAINING COMPOUND, ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC APPARATUS 陕西莱特光电材料股份有限公司 2021-07-08 WO disclosed
EP-3235891-B1 COMPOSITION AND LIGHT-EMITTING ELEMENT USING SAME SUMITOMO CHEMICAL CO (JP) 2020-12-23 EP disclosed
US-20200194695-A1 COMPOSITION, PHOSPHORESCENT COMPOUND, AND LIGHT EMITTING DEVICE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2020-06-18 US disclosed
WO-2020114025-A1 PREPARATION METHOD FOR β-LACTAM DERIVATIVES 苏州大学 2020-06-11 WO disclosed
US-20200044156-A1 COMPOSITION AND LIGHT EMITTING DEVICE USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2020-02-06 US disclosed
US-9974782-B2 Phosphodiesterase inhibitors and uses thereof THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2018-05-22 US disclosed
EP-2379076-B1 PHOSPHODIESTERASE INHIBITORS AND USES THEREOF UNIV COLUMBIA (US) 2014-11-12 EP disclosed
US-8697875-B2 Phosphodiesterase inhibitors and uses thereof THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2014-04-15 US disclosed
US-20120076732-A1 PHOSPHODIESTERASE INHIBITORS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-03-29 US disclosed
EP-2379076-A1 PHOSPHODIESTERASE INHIBITORS AND USES THEREOF The Trustees of Columbia University in the City of New York (US) 2011-10-26 EP disclosed
WO-2010074783-A1 PHOSPHODIESTERASE INHIBITORS AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2010-07-01 WO disclosed
US-5405843-A Anticancer drug potentiators MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1995-04-11 US disclosed
EP-0363212-B1 Novel heterocyclic compounds and anticancer-drug reinforcing agents containing them as effective components MITSUI TOATSU CHEMICALS (JP) 1995-01-04 EP disclosed
US-5204348-A Quinoline derivatives MITSUI TOATSU CHEMICALS INC. (JP) 1993-04-20 US disclosed
US-5112817-A Anticancer Drug Potentiators MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1992-05-12 US disclosed
EP-0363212-A2 Novel heterocyclic compounds and anticancer-drug reinforcing agents containing them as effective components MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-04-11 EP 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-20200044156-A1 COMPOSITION AND LIGHT EMITTING DEVICE USING THE SAME CRY1, CRY2, EXOC1 KDM4E 3472/4885MAPT 1997/4885LMNA 2731/4885
US-20200194695-A1 COMPOSITION, PHOSPHORESCENT COMPOUND, AND LIGHT EMITTING DEVICE CRY1, C5, C1S KDM4E 4796/4885MAPT 1713/4885LMNA 1832/4885
US-11532790-B2 Composition and light emitting device using the same CRY1, CRY2, EXOC1 KDM4E 3472/4885MAPT 1997/4885LMNA 2731/4885
US-20120076732-A1 PHOSPHODIESTERASE INHIBITORS AND USES THEREOF PDE7A, PDE5A, PDE4A KDM4E 1362/4885MAPT 1282/4885LMNA 3150/4885

“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.