SCHEMBL22274501

SCHEMBL22274501

Clc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3sc3ccccc34)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.47
EGFR P00533 1/20 0.41
PDE5A O76074 2/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
ATM Q13315 1/20 0.39
PARP14 Q460N5 1/20 0.39
NR1H2 P55055 2/20 0.38
NR1H3 Q13133 2/20 0.38
PRKDC P78527 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C8 P10632 1/20 0.38
CYP2C9 P11712 1/20 0.38
DHODH Q02127 1/20 0.38
MEN1 O00255 1/20 0.38
DPP4 P27487 1/20 0.37
CYP1A2 P05177 2/20 0.37
GAA P10253 2/20 0.36
POLB P06746 2/20 0.36

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
SCHEMBL23024897 0.96 ALOX5 (0.44) ALOX5EGFRPDE5AABCG2ATM
SCHEMBL24781611 0.95 ALOX5 (0.50) ALOX5EGFRPDE5AABCG2ATM
SCHEMBL30083800 0.95 ALOX5 (0.50) ALOX5EGFRPDE5AABCG2ATM
SCHEMBL22888574 0.92 ALOX5 (0.51) ALOX5ATMPARP14PRKDCALDH1A1
SCHEMBL21304522 0.92 ALOX5 (0.51) ALOX5ATMPARP14PRKDCALDH1A1
SCHEMBL21304295 0.92 ALOX5 (0.51) ALOX5ATMPARP14PRKDCALDH1A1
SCHEMBL24450625 0.92 ALOX5 (0.51) ALOX5ATMPARP14PRKDCALDH1A1
SCHEMBL23008288 0.92 ALOX5 (0.51) ALOX5ATMPARP14PRKDCALDH1A1
SCHEMBL22547530 0.92 ALOX5 (0.51) ALOX5ATMPARP14PRKDCALDH1A1
SCHEMBL21304444 0.92 ALOX5 (0.51) ALOX5ATMPARP14PRKDCALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240334813-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE, ORGANIC ELECTROLUMINESCENCE DEVICE, AND ELECTRONIC APPARATUS IDEMITSU KOSAN CO., LTD. (JP) 2024-10-03 US disclosed
CN-117794901-A Compound, material for organic electroluminescent element, and electronic device 出光兴产株式会社 2024-03-29 CN disclosed
US-20230217813-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE, ORGANIC ELECTROLUMINESCENCE DEVICE, AND ELECTRONIC APPARATUS IDEMITSU KOSAN CO.,LTD. (JP) 2023-07-06 US disclosed
US-20230217813-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE, ORGANIC ELECTROLUMINESCENCE DEVICE, AND ELECTRONIC APPARATUS IDEMITSU KOSAN CO.,LTD. (JP) 2023-07-06 US disclosed
WO-2022264827-A1 COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT MATERIAL, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE 出光興産株式会社 2022-12-22 WO disclosed
US-20220085298-A1 COMPOUND, ORGANIC OPTOELECTRONIC DIODE, AND DISPLAY DEVICE LT MATERIALS CO., LTD. (KR) 2022-03-17 US disclosed
WO-2020153758-A1 COMPOSITION, ORGANIC OPTOELECTRONIC DIODE, AND DISPLAY DEVICE 엘티소재주식회사 2020-07-30 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-20220085298-A1 COMPOUND, ORGANIC OPTOELECTRONIC DIODE, AND DISPLAY DEVICE ALDH1A2, OXER1, AOX1 ALOX5 862/4885EGFR 1179/4885PDE5A 2028/4885
US-20240334813-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE, ORGANIC ELECTROLUMINESCENCE DEVICE, AND ELECTRONIC APPARATUS PIEZO1, OR10J3, TMEM109 ALOX5 2015/4885EGFR 2984/4885PDE5A 4320/4885
US-20230217813-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE, ORGANIC ELECTROLUMINESCENCE DEVICE, AND ELECTRONIC APPARATUS L1CAM, LEF1, PIEZO1 ALOX5 3359/4885EGFR 1759/4885PDE5A 4756/4885

“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.