SCHEMBL4484930

SCHEMBL4484930

CNc1cccnc1C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
RRM2 P31350 1/20 0.36
NCOA1 Q15788 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
HDAC6 Q9UBN7 2/20 0.35
SLC22A12 Q96S37 1/20 0.35
DHODH Q02127 1/20 0.35
P2RY1 P47900 2/20 0.35
ALDH1A1 P00352 3/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 1/20 0.35
ELANE P08246 2/20 0.34
SLC40A1 Q9NP59 2/20 0.34
TDP1 Q9NUW8 1/20 0.33
POLB P06746 1/20 0.33
SSTR4 P31391 1/20 0.33

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
SCHEMBL1447376 0.84 ALDH1A1 (0.47) KDM4EHDAC6SLC22A12DHODHP2RY1
SCHEMBL11900962 0.80 GRM4 (0.35) KDM4EHDAC6SLC22A12DHODHP2RY1
SCHEMBL27863527 0.79 IDO1 (0.44) KDM4EHDAC6SLC22A12DHODHP2RY1
SCHEMBL20688233 0.78 TYK2 (0.41) KDM4ERRM2NCOA1NCOA3ALDH1A1
SCHEMBL127352 0.77 NOS3 (0.46) KDM4EMAPTELANESSTR4
SCHEMBL31533100 0.77 NOS3 (0.46) KDM4EMAPTELANESSTR4
SCHEMBL23766324 0.76 POLB (0.34) KDM4ERRM2NCOA1NCOA3ALDH1A1
SCHEMBL11900875 0.76 HDAC6 (0.35) KDM4EHDAC6DHODHP2RY1ALDH1A1
Ammonia Solution, Strong SCHEMBL29243896 0.75 NOS3 (0.45) KDM4EMAPTELANESSTR4
Hydrochloric Acid SCHEMBL28046298 0.75 NOS3 (0.45) KDM4EMAPTSSTR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117247331-A Dibenzylbutane type lignan analogue and application thereof 中国人民解放军海军军医大学 2023-12-19 CN disclosed
EP-4289833-A1 TYK2 INHIBITOR COMPOUND CONTAINING BICYCLIC RING CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-12-13 EP disclosed
CN-111556871-B 1H-pyrazolo [4,3-b ] pyridines as PDE1 inhibitors H.隆德贝克有限公司 2023-07-07 CN disclosed
CN-116323599-A Heterocyclic GLP-1 agonists 加舒布鲁姆生物公司 2023-06-23 CN disclosed
CN-110099901-B Pyrazolo [3,4-b ] pyridines and imidazo [1,5-b ] pyridazines as PDE1 inhibitors H.隆德贝克有限公司 2023-01-03 CN disclosed
CN-112279840-B Deuterated enaminocarbonyl compound and preparation method and application thereof 徐州汇川生物科技有限公司 2022-11-22 CN disclosed
CN-111465410-B Combination therapy comprising administration of 1H-pyrazolo [4,3-B ] pyridine H.隆德贝克有限公司 2022-10-25 CN disclosed
CN-111526890-B Combination therapy comprising administration of 1H-pyrazolo [4,3-B ] pyridine H.隆德贝克有限公司 2022-10-14 CN disclosed
CN-109311872-B 1H-pyrazolo [4,3-b ] pyridines as PDE1 inhibitors H.隆德贝克有限公司 2021-08-20 CN disclosed
CN-112279840-A Deuterated ene ammonia carbonyl compound and preparation method and application thereof 徐州汇川生物科技有限公司 2021-01-29 CN disclosed
CN-111556871-A 1H-pyrazolo [4,3-b ] pyridines as PDE1 inhibitors H.隆德贝克有限公司 2020-08-18 CN disclosed
CN-111526890-A Combination therapy comprising administration of 1H-pyrazolo [4,3-B ] pyridine H.隆德贝克有限公司 2020-08-11 CN disclosed
CN-111465410-A Combination therapy comprising administration of 1H-pyrazolo [4,3-B ] pyridine H.隆德贝克有限公司 2020-07-28 CN disclosed
CN-110099901-A Pyrazolo [3,4-b] pyridine and imidazo [1,5-b] pyridazine as PDE1 inhibitor H.隆德贝克有限公司 2019-08-06 CN disclosed
CN-109311872-A 1H- pyrazolo [4,3-b] pyridine as PDE1 inhibitor H.隆德贝克有限公司 2019-02-05 CN disclosed
US-8946266-B2 Substituted triazole and imidazole derivatives as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2015-02-03 US disclosed
US-20120135981-A1 NOVEL SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS CELLZOME LIMITED (GB) 2012-05-31 US disclosed
US-7601714-B2 Pyrimidine derivatives useful as inhibitors of PKC-theta BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-10-13 US disclosed
US-20080287410-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BARBOSA ANTONIO J M 2008-11-20 US disclosed
US-20060025433-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-02-02 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 (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-20080287410-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA PRKCZ, PRKCQ, PRKCH KDM4E 2269/4885RRM2 263/4885NCOA1 4426/4885
US-20120135981-A1 NOVEL SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS BACE1, BACE2, APH1A KDM4E 2831/4885RRM2 3196/4885NCOA1 234/4885
US-20060025433-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCZ, PRKCQ, PRKCH KDM4E 2269/4885RRM2 263/4885NCOA1 4426/4885

“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.