SCHEMBL568877

SCHEMBL568877

Brc1ccnc(N2CCOCC2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.54
PIK3CD O00329 1/20 0.54
PIK3R1 P27986 1/20 0.54
PIK3CB P42338 1/20 0.54
ACHE P22303 3/20 0.50
MAPK1 P28482 2/20 0.50
ALDH1A1 P00352 1/20 0.50
TSHR P16473 1/20 0.49
KDM4E B2RXH2 1/20 0.46
CCNT1 O60563 1/20 0.46
CCNA2 P20248 1/20 0.46
CDK2 P24941 1/20 0.46
CDK9 P50750 1/20 0.46
EIF2AK2 P19525 1/20 0.45
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CHRNA7 P36544 1/20 0.43
MAPT P10636 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL421266 0.83 ACHE (0.46) ACHEMAPK1ALDH1A1TSHRCCNT1
SCHEMBL28058217 0.83 DYRK1A (0.43) ACHEMAPK1ALDH1A1TSHRKDM4E
SCHEMBL7019990 0.81 ACHE (0.45) ACHEMAPK1ALDH1A1TSHRCCNT1
SCHEMBL5525967 0.80 PIK3CA (0.58) PIK3CAPIK3CDPIK3R1PIK3CBACHE
SCHEMBL5457199 0.80 PIK3CA (0.55) PIK3CAPIK3CDPIK3R1PIK3CBACHE
SCHEMBL29434914 0.79 PIK3CA (0.54) PIK3CAPIK3CDPIK3R1PIK3CBACHE
SCHEMBL1600415 0.79 PIK3CA (0.61) PIK3CAPIK3CDPIK3R1PIK3CBACHE
SCHEMBL573580 0.79 ADRB1 (0.59) ACHEALDH1A1KDM4ESMN1; SMN2
SCHEMBL3896595 0.79 PIK3CA (0.54) PIK3CAPIK3CDPIK3R1PIK3CBACHE
SCHEMBL1110254 0.79 PIK3CA (0.54) PIK3CAPIK3CDPIK3R1PIK3CBACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12264147-B2 Substituted carboxamides as inhibitors of WDR5 protein-protein binding Propellon Therapeutics Inc. (CA) 2025-04-01 US disclosed
US-11814378-B2 Compounds for the treatment, alleviation or prevention of disorders associated with Tau aggregates AC IMMUNE SA (CH) 2023-11-14 US disclosed
US-11814378-B2 Compounds for the treatment, alleviation or prevention of disorders associated with Tau aggregates AC IMMUNE SA (CH) 2023-11-14 US disclosed
US-20230219926-A1 SUBSTITUTED CARBOXAMIDES AS INHIBITORS OF WDR5 PROTEIN-PROTEIN BINDING FACIT INC. (CA) 2023-07-13 US disclosed
EP-3423451-B1 INHIBITORS OF WDR5 PROTEIN-PROTEIN BINDING PROPELLON THERAPEUTICS INC (CA) 2022-08-17 EP disclosed
CN-109195965-B Inhibitors of WDR5 protein-protein binding 普罗佩纶治疗公司 2022-07-26 CN disclosed
US-11319299-B2 Substituted carboxamides as inhibitors of WDR5 protein-protein binding Propellon Therapeutics Inc. (CA) 2022-05-03 US disclosed
CN-108137561-B Indolin-2-one derivatives 豪夫迈·罗氏有限公司 2021-03-26 CN disclosed
EP-3371174-B1 INDOLIN-2-ONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2021-03-17 EP disclosed
US-20200148679-A1 Novel compounds for the treatment, alleviation or prevention of disorders associated with Tau aggregates AC IMMUNE SA (CH) 2020-05-14 US disclosed
US-7879873-B2 Azaindazole compounds as CCR1 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-01 US disclosed
US-7879873-B2 Azaindazole compounds as CCR1 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-01 US disclosed
US-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 US disclosed
US-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 US disclosed
US-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 US disclosed
WO-2010036632-A1 AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 WO disclosed
WO-2010036632-A1 AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 WO disclosed
US-20070060582-A1 1,4-Disubstituted isoquinilone derivatives as raf-kinase inhibitors useful for the treatment of proliferative diseases FINK CYNTHIA A 2007-03-15 US disclosed
EP-1667980-A1 1,4-DISUBSTITUTED ISOQUINOLINE DERIVATIVES AS RAF-KINASE INHIBITORS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES Novartis AG (CH) 2006-06-14 EP disclosed
WO-2005028444-A1 1,4-DISUBSTITUTED ISOQUINILONE DERIVATIVES AS RAF-KINASE INHIBITORS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2005-03-31 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 (7 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-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 PIK3CA 4416/4885PIK3CD 4069/4885PIK3R1 2217/4885
US-11319299-B2 Substituted carboxamides as inhibitors of WDR5 protein-protein binding WDR5, WDR82, WDR1 PIK3CA 4072/4885PIK3CD 3491/4885PIK3R1 3621/4885
US-12264147-B2 Substituted carboxamides as inhibitors of WDR5 protein-protein binding WDR5, WDR82, WDR1 PIK3CA 4072/4885PIK3CD 3491/4885PIK3R1 3621/4885
US-20070060582-A1 1,4-Disubstituted isoquinilone derivatives as raf-kinase inhibitors useful for the treatment of proliferative diseases BRAF, RAF1, NRAS PIK3CA 162/4885PIK3CD 215/4885PIK3R1 250/4885
US-20200148679-A1 Novel compounds for the treatment, alleviation or prevention of disorders associated with Tau aggregates MAPT, MAP1LC3A, MAP1LC3B PIK3CA 4508/4885PIK3CD 4026/4885PIK3R1 3768/4885
US-11814378-B2 Compounds for the treatment, alleviation or prevention of disorders associated with Tau aggregates MAPT, MAP1LC3A, TUBB3 PIK3CA 4595/4885PIK3CD 4262/4885PIK3R1 4140/4885
US-20230219926-A1 SUBSTITUTED CARBOXAMIDES AS INHIBITORS OF WDR5 PROTEIN-PROTEIN BINDING WDR5, WDR82, WDR1 PIK3CA 4072/4885PIK3CD 3491/4885PIK3R1 3621/4885

“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.