SCHEMBL812421

SCHEMBL812421

N=C1CC=CN=C1c1ccccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 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 2/20 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
NPC1 O15118 7/20 0.38
RAB9A P51151 6/20 0.38
TP53 P04637 5/20 0.38
SMN1; SMN2 Q16637 5/20 0.38
ALOX15 P16050 4/20 0.38
L3MBTL1 Q9Y468 4/20 0.38
TDP1 Q9NUW8 3/20 0.38
HSD17B10 Q99714 3/20 0.38

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
SCHEMBL28632180 0.98 KDM4E (0.42) KDM4ELMNACCR1CCR5CCR8
SCHEMBL29494143 0.98 KDM4E (0.42) KDM4ELMNACCR1CCR5CCR8
Fluoride SCHEMBL29494147 0.98 KDM4E (0.42) KDM4ELMNACCR1CCR5CCR8
SCHEMBL30362597 0.79 KDM4E (0.43) KDM4ELMNACCR1CCR5CCR8
SCHEMBL3751912 0.79 KDM4E (0.43) KDM4ELMNACCR1CCR5CCR8
SCHEMBL29809937 0.79 KDM4E (0.43) KDM4ELMNACCR1CCR5CCR8
SCHEMBL4916622 0.79 KDM4E (0.43) KDM4ELMNACCR1CCR5CCR8
SCHEMBL25222671 0.78 KDM4E (0.42) KDM4ELMNACCR1CCR5CCR8
Hydrochloric Acid SCHEMBL29188241 0.78 KDM4E (0.42) KDM4ELMNACCR1CCR5CCR8
SCHEMBL28628525 0.78 KDM4E (0.42) 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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022242584-A1 ORGANIC ELECTROLUMINESCENT DEVICE AND DISPLAY APPARATUS 清华大学 2022-11-24 WO disclosed
CN-113437229-B Organic electroluminescent device and display device 清华大学 2022-04-01 CN disclosed
CN-113437229-B Organic electroluminescent device and display device 清华大学 2022-04-01 CN disclosed
CN-113437229-A Organic electroluminescent device and display device 清华大学 2021-09-24 CN disclosed
US-8058372-B2 Catalyst composition II EXXONMOBIL CHEMICAL PATENTS INC. (US) 2011-11-15 US disclosed
US-7820582-B2 Catalyst composition EXXONMOBIL CHEMICAL PATENTS INC. (US) 2010-10-26 US disclosed
US-20080319147-A1 Catalyst Composition II EXXONMOBIL CHEMICAL PATENTS INC. 2008-12-25 US disclosed
US-7371803-B2 Catalyst composition II EXXONMOBIL CHEMICAL PATENTS INC. (US) 2008-05-13 US disclosed
US-20070191607-A1 Catalyst composition EXXONMOBIL CHEMICAL PATENTS INC. 2007-08-16 US disclosed
US-7217675-B2 Catalyst composition EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-05-15 US disclosed
US-20070066776-A1 Catalyst composition II SOLAN GREGORY A 2007-03-22 US disclosed
US-7189791-B2 Catalyst composition II EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-03-13 US disclosed
EP-1603956-A2 CATALYST COMPOSITION ExxonMobil Chemical Patents, Inc., A Corporation of the State of Delaware (US) 2005-12-14 EP disclosed
US-20040266961-A1 Catalyst composition II EXXONMOBIL CHEMICAL PATENTS INC. 2004-12-30 US disclosed
US-20040242893-A1 Catalyst composition EXXONMOBIL CHEMICAL PATENTS INC. 2004-12-02 US disclosed
WO-2004085497-A2 CATALYST COMPOSITION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-10-07 WO 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-20040242893-A1 Catalyst composition MLX, BMX, CDYL KDM4E 704/4885LMNA 24/4885CCR1 132/4885
US-20040266961-A1 Catalyst composition II MLX, CBX2, BMX KDM4E 1089/4885LMNA 25/4885CCR1 224/4885
US-20070191607-A1 Catalyst composition MLX, LMNB2, TPX2 KDM4E 2608/4885LMNA 13/4885CCR1 1220/4885

“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.