SCHEMBL29004

SCHEMBL29004

C#Cc1ccnc(-c2ccccn2)c1C#C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.43
LMNA P02545 3/20 0.43
CCR1 P32246 3/20 0.43
CCR5 P51681 3/20 0.43
CCR8 P51685 3/20 0.43
CYP1A2 P05177 1/20 0.43
POLB P06746 1/20 0.43
METAP1 P53582 1/20 0.43
BLM P54132 1/20 0.43
HIF1A Q16665 1/20 0.43
DOHH Q9BU89 1/20 0.43
P4HTM Q9NXG6 1/20 0.43
ULK1 O75385 1/20 0.39
CDK7 P50613 1/20 0.39
CDK5 Q00535 1/20 0.39
PRKCE Q02156 1/20 0.39
CAMK2G Q13555 1/20 0.39
DYRK1A Q13627 1/20 0.39
CDK5R1 Q15078 1/20 0.39
RPS6KA1 Q15418 1/20 0.39

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
SCHEMBL2139205 0.84 KDM4E (0.45) KDM4ELMNACCR1CCR5CCR8
SCHEMBL28853259 0.81 KDM4E (0.49) KDM4ELMNACCR1CCR5CCR8
SCHEMBL9715965 0.80 KDM4E (0.48) KDM4ELMNACCR1CCR5CCR8
SCHEMBL12470406 0.76 KDM4E (0.43) KDM4ELMNACCR1CCR5CCR8
SCHEMBL29144642 0.73 KDM4E (0.41) KDM4ELMNACCR1CCR5CCR8
SCHEMBL6769901 0.71 KDM4E (0.50) KDM4ELMNACCR1CCR5CCR8
SCHEMBL176039 0.70 KDM4E (0.68) KDM4ELMNACCR1CCR5CCR8
SCHEMBL6412157 0.67 GRM5 (0.32)
SCHEMBL29003 0.66 TDP1 (0.39) KDM4ELMNACCR1CCR5CCR8
SCHEMBL2507724 0.66 KDM4E (0.54) KDM4ELMNACCR1CCR5CCR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117186365-A Metallized conjugated microporous polymer based on carbazole derivative and pyridine derivative, and preparation method and application thereof 浙江工业大学 2023-12-08 CN disclosed
US-20180214827-A1 PERYLENE DIIMIDE BASED MEMBRANE AND METHODS OF USE THEREOF YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2018-08-02 US disclosed
EP-3319715-A1 PERYLENE DIIMIDE BASED MEMBRANE AND METHODS OF USE THEREOF Yeda Research and Development Co., Ltd. (IL) 2018-05-16 EP disclosed
EP-3067354-B1 SUPRAMOLECULAR POLYMERS DERIVED FROM PERYLENE-DIIMIDES YEDA RES & DEV (IL) 2018-01-03 EP disclosed
US-9701784-B2 Supramolecular polymers derived from perylene-diimides YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2017-07-11 US disclosed
US-9623381-B2 Separation of nanoparticles YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2017-04-18 US disclosed
WO-2017006325-A1 PERYLENE DIIMIDE BASED MEMBRANE AND METHODS OF USE THEREOF YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2017-01-12 WO disclosed
EP-3112013-A1 PERYLENE DIIMDE BASED MEMBRANE, PREPARATION AND RECYCLING THEREOF, AND USE FOR NANOPARTICLE SEPARATION THEREOF Yeda Research and Development Co. Ltd (IL) 2017-01-04 EP disclosed
EP-3067354-A1 SUPRAMOLECULAR POLYMERS DERIVED FROM PERYLENE-DIIMIDES Yeda Research and Development Co. Ltd. (IL) 2016-09-14 EP disclosed
US-20150375180-A1 SEPARATION OF NANOPARTICLES YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2015-12-31 US disclosed
US-20150240027-A1 SUPRAMOLECULAR POLYMERS DERIVED FROM PERYLENE-DIIMIDES YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2015-08-27 US disclosed
US-9067181-B2 Separation of nanoparticles YEDA RESEARCH AND DEVELOPMENT CO. LTD. (US) 2015-06-30 US disclosed
US-8968886-B2 Doubly reduced perylene-diimides and supramolecular polymers derived from perylene-diimides YEDA RESEARCH AND DEVELOPMENT CO., LTD. (IL) 2015-03-03 US disclosed
US-20130303769-A1 SEPARATION OF NANOPARTICLES YEDA RESEARCH AND DEVELOPMENT CO. LTD (IL) 2013-11-14 US disclosed
EP-2608874-A1 SEPARATION OF NANOPARTICLES Yeda Research and Development Co. Ltd. (IL) 2013-07-03 EP disclosed
WO-2012025928-A1 SEPARATION OF NANOPARTICLES YEDA RESEARCH AND DEVELOPMENT CO.LTD (IL) 2012-03-01 WO disclosed
US-20110101276-A1 DOUBLY REDUCED PERYLENE-DIIMIDES AND SUPRAMOLECULAR POLYMERS DERIVED FROM PERYLENE-DIIMIDES YEDA RESEARCH AND DEVELOPMENT CO.LTD (IL) 2011-05-05 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-20150240027-A1 SUPRAMOLECULAR POLYMERS DERIVED FROM PERYLENE-DIIMIDES PIN1, PARN, DDT KDM4E 2710/4885LMNA 1103/4885CCR1 2945/4885
US-20150375180-A1 SEPARATION OF NANOPARTICLES NCL, CD63, PARN KDM4E 1712/4885LMNA 620/4885CCR1 4535/4885
US-20110101276-A1 DOUBLY REDUCED PERYLENE-DIIMIDES AND SUPRAMOLECULAR POLYMERS DERIVED FROM PERYLENE-DIIMIDES NR2E3, NR2C2, NR0B2 KDM4E 2335/4885LMNA 2117/4885CCR1 1840/4885
US-20130303769-A1 SEPARATION OF NANOPARTICLES NCL, CD63, PARN KDM4E 1712/4885LMNA 620/4885CCR1 4535/4885

“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.