SCHEMBL2890937

SCHEMBL2890937

O=C(c1ccccc1)c1ncccn1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.63
ALDH1A1 P00352 2/20 0.59
CTNNB1 P35222 1/20 0.59
WNT3A P56704 1/20 0.59
MEN1 O00255 1/20 0.58
L3MBTL1 Q9Y468 2/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
ATM Q13315 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
SRD5A2 P31213 1/20 0.50
NAPRT Q6XQN6 2/20 0.46
LMNA P02545 1/20 0.46
P4HTM Q9NXG6 1/20 0.46
AKR1C3 P42330 1/20 0.46
CES2 O00748 2/20 0.46
CES1 P23141 2/20 0.46
DAO P14920 1/20 0.46
TSHR P16473 1/20 0.46
KDM4E B2RXH2 1/20 0.46

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
Urea SCHEMBL28595140 0.94 KMT2A (0.57) KMT2AALDH1A1CTNNB1WNT3AMEN1
SCHEMBL11064770 0.82 ALDH1A1 (0.54) KMT2AALDH1A1CTNNB1WNT3AMEN1
SCHEMBL20104311 0.80 SRD5A2 (0.52) ALDH1A1NPC1RAB9ASRD5A2CES2
SCHEMBL3226688 0.80 SRD5A2 (0.56) KMT2AALDH1A1MEN1L3MBTL1ATM
SCHEMBL28489651 0.80 ALDH1A1 (0.65) KMT2AALDH1A1MEN1L3MBTL1NPC1
SCHEMBL10373456 0.79 P2RX7 (0.52) KMT2AALDH1A1CTNNB1WNT3AMEN1
SCHEMBL2314020 0.79 ALOX15 (0.53) KMT2AALDH1A1MEN1L3MBTL1NPC1
SCHEMBL134274 0.78 ALDH1A1 (0.62) KMT2AALDH1A1MEN1L3MBTL1NPC1
SCHEMBL28561412 0.78 CTNNB1 (0.55) KMT2AALDH1A1CTNNB1WNT3AMEN1
SCHEMBL398165 0.77 KMT2A (1.00) KMT2AALDH1A1MEN1L3MBTL1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108148003-B Method for synthesizing benzoylpyrimidine compound serving as intermediate of OLED (organic light emitting diode) material 棓诺(苏州)新材料有限公司 2021-03-26 CN claimed
CN-108148003-A The synthetic method of OLED material intermediate benzoyl pyrimidines 棓诺(苏州)新材料有限公司 2018-06-12 CN claimed
US-20230022289-A1 ORGANIC COMPOUND, P-TYPE DOPED MATERIAL AND APPLICATION THEREOF SHANGHAI TIANMA MICROELECTRONICS CO., LTD. (CN) 2023-01-26 US disclosed
CN-108148003-B Method for synthesizing benzoylpyrimidine compound serving as intermediate of OLED (organic light emitting diode) material 棓诺(苏州)新材料有限公司 2021-03-26 CN disclosed
CN-108148003-B Method for synthesizing benzoylpyrimidine compound serving as intermediate of OLED (organic light emitting diode) material 棓诺(苏州)新材料有限公司 2021-03-26 CN disclosed
CN-108148003-B Method for synthesizing benzoylpyrimidine compound serving as intermediate of OLED (organic light emitting diode) material 棓诺(苏州)新材料有限公司 2021-03-26 CN disclosed
CN-108912056-A A kind of new benzoyl pyrimidine carbamide compounds and its preparation and application 海南大学 2018-11-30 CN disclosed
CN-108148003-A The synthetic method of OLED material intermediate benzoyl pyrimidines 棓诺(苏州)新材料有限公司 2018-06-12 CN disclosed
CN-108148003-A The synthetic method of OLED material intermediate benzoyl pyrimidines 棓诺(苏州)新材料有限公司 2018-06-12 CN disclosed
CN-108148003-A The synthetic method of OLED material intermediate benzoyl pyrimidines 棓诺(苏州)新材料有限公司 2018-06-12 CN disclosed
EP-3303303-A1 NOVEL HETEROCYCLIC COMPOUNDS AS INHIBITORS OF VANIN-1 ENZYME Pfizer Inc (US) 2018-04-11 EP disclosed
WO-2006045612-A1 PROCESS FOR THE PREPARATION OF PHENYL 2-PYRIMIDINYL KETONES AND THEIR NOVEL INTERMEDIATES BAYER CROPSCIENCE AG (DE) 2006-05-04 WO disclosed
CN-1230943-A Process for the preparation of aryl-beta-diketones, aryl-pyrimidinones and crop protection intermediates ZENECA LTD (GB) 1999-10-06 CN disclosed
EP-0929510-A2 PROCESSES FOR THE PREPARATION OF ARYL-$g(b)-DIKETONES, ARYL-PYRIMIDINE KETONES AND CROP PROTECTION INTERMEDIATES ZENECA LIMITED (GB) 1999-07-21 EP disclosed
US-5925795-A Processes for the preparation of aryl-β-diketones, arylpyrimidine ketones and crop protection intermediates ZENECA LIMITED (GB) 1999-07-20 US disclosed
WO-1998011046-A2 PROCESSES FOR THE PREPARATION OF ARYL-β-DIKETONES, ARYL-PYRIMIDINE KETONES AND CROP PROTECTION INTERMEDIATES ZENECA LIMITED (GB) 1998-03-19 WO disclosed
US-5672567-A PRE- AND POST-EMERGENCE ZENECA LIMITED (GB) 1997-09-30 US disclosed
US-5670453-A PYRAZINEARYL COMPOUND ZENECA LIMITED (GB) 1997-09-23 US disclosed
EP-0758323-A1 HERBICIDAL HYDROXYBENZYL-SUBSTITUTED HETEROARYL COMPOUNDS AND DERIVATIVES THEREOF ZENECA LIMITED (GB) 1997-02-19 EP disclosed
WO-1995029898-A1 HERBICIDAL HYDROXYBENZYL-SUBSTITUTED HETEROARYL COMPOUNDS AND DERIVATIVES THEREOF ZENECA LIMITED (GB) 1995-11-09 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 (1 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-20230022289-A1 ORGANIC COMPOUND, P-TYPE DOPED MATERIAL AND APPLICATION THEREOF OCIAD1, OCIAD2, POF1B KMT2A 4447/4885ALDH1A1 2073/4885CTNNB1 113/4885

“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.