SCHEMBL3279752

SCHEMBL3279752

[CH2]n1nc(C(F)(F)F)cc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
LMNA P02545 4/20 0.41
MAPT P10636 2/20 0.40
HPGD P15428 3/20 0.37
TSHR P16473 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HSD17B10 Q99714 1/20 0.37
TP53 P04637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
POLB P06746 2/20 0.36
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
GAA P10253 2/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL3441418 0.76 KDM4E (0.40) KDM4ELMNAMAPTALDH1A1L3MBTL1
SCHEMBL3279759 0.76 KDM4E (0.42) KDM4ELMNAMAPTHPGDTSHR
SCHEMBL14139243 0.74 LMNA (0.41) KDM4ELMNAMAPTHPGDTSHR
SCHEMBL15520478 0.74 KDM4E (0.41) KDM4ELMNAMAPTHPGDTSHR
SCHEMBL18912228 0.74 KDM4E (0.41) KDM4ELMNAMAPTHPGDTSHR
SCHEMBL9892426 0.72 KDM4E (0.40) KDM4ELMNAMAPTHPGDTSHR
SCHEMBL8322070 0.71 LMNA (0.55) KDM4ELMNAHPGDTSHRALDH1A1
SCHEMBL9198090 0.71 KDM4E (0.39) KDM4ELMNAMAPTHPGDTSHR
SCHEMBL18467787 0.71 TP53 (0.41) KDM4ELMNAMAPTHPGDTSHR
SCHEMBL27978194 0.69 KDM4E (0.38) KDM4ELMNAMAPTHPGDTSHR

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
US-20230357255-A1 IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES AS A2A / A2B INHIBITORS INCYTE CORPORATION 2023-11-09 US claimed
US-11673894-B2 Imidazopyrimidines and triazolopyrimidines as A2A / A2B inhibitors INCYTE CORPORATION (US) 2023-06-13 US claimed
CN-115160269-A Arylcarboxamide derivatives as positive allosteric modulators of NMDAR 北京大学 2022-10-11 CN claimed
US-20210139485-A1 IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES AS A2A / A2B INHIBITORS INCYTE CORPORATION 2021-05-13 US claimed
CN-112384515-A Imidazopyrimidines and triazolopyrimidines as A2A/A2B inhibitors 因赛特公司 2021-02-19 CN claimed
US-20190292188-A1 IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES AS A2A / A2B INHIBITORS INCYTE CORPORATION 2019-09-26 US claimed
EP-1576110-A4 CELL MIGRATION INHIBITING COMPOSITIONS AND METHODS AND COMPOSITIONS FOR TREATING CANCER AVOLIX PHARMACEUTICALS (US) 2007-11-07 EP claimed
US-20060128742-A1 Cell migration inhibiting compositions and methods and compositions for treating cancer AVOLIX PHARMACEUTICALS, INC. 2006-06-15 US claimed
EP-1576110-A2 CELL MIGRATION INHIBITING COMPOSITIONS AND METHODS AND COMPOSITIONS FOR TREATING CANCER Avolix Pharmaceuticals (US) 2005-09-21 EP claimed
WO-2003102153-A2 CELL MIGRATION INHIBITING COMPOSITIONS AND METHODS AND COMPOSITIONS FOR TREATING CANCER AVOLIX PHARMACEUTICALS (US) 2003-12-11 WO claimed
CN-117903140-A Imidazopyrimidines and triazolopyrimidines as A2A/A2B inhibitors 因赛特公司 2024-04-19 CN disclosed
US-20230357255-A1 IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES AS A2A / A2B INHIBITORS INCYTE CORPORATION 2023-11-09 US disclosed
US-11673894-B2 Imidazopyrimidines and triazolopyrimidines as A2A / A2B inhibitors INCYTE CORPORATION (US) 2023-06-13 US disclosed
CN-115160269-A Arylcarboxamide derivatives as positive allosteric modulators of NMDAR 北京大学 2022-10-11 CN disclosed
US-20210139485-A1 IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES AS A2A / A2B INHIBITORS INCYTE CORPORATION 2021-05-13 US disclosed
CN-112384515-A Imidazopyrimidines and triazolopyrimidines as A2A/A2B inhibitors 因赛特公司 2021-02-19 CN disclosed
US-20190292188-A1 IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES AS A2A / A2B INHIBITORS INCYTE CORPORATION 2019-09-26 US disclosed
US-7700615-B2 Cell migration inhibiting compositions and methods and compositions for treating cancer AVOLIX PHARMACEUTICALS, INC. (US) 2010-04-20 US disclosed
US-20060128742-A1 Cell migration inhibiting compositions and methods and compositions for treating cancer AVOLIX PHARMACEUTICALS, INC. 2006-06-15 US disclosed
US-7012100-B1 Cell migration inhibiting compositions and methods and compositions for treating cancer AVOLIX PHARMACEUTICALS, INC. (US) 2006-03-14 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 (5 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-20210139485-A1 IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES AS A2A / A2B INHIBITORS ADORA2A, ADORA2B, ADORA1 KDM4E 4274/4885LMNA 4020/4885MAPT 3697/4885
US-20190292188-A1 IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES AS A2A / A2B INHIBITORS ADORA2A, ADORA2B, ADORA1 KDM4E 4274/4885LMNA 4020/4885MAPT 3697/4885
US-20060128742-A1 Cell migration inhibiting compositions and methods and compositions for treating cancer MKI67, DCX, NUDC KDM4E 4356/4885LMNA 2227/4885MAPT 3866/4885
US-20230357255-A1 IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES AS A2A / A2B INHIBITORS ADORA2A, ADORA2B, ADORA1 KDM4E 4274/4885LMNA 4020/4885MAPT 3697/4885
US-11673894-B2 Imidazopyrimidines and triazolopyrimidines as A2A / A2B inhibitors ADORA2A, ADORA2B, ADORA1 KDM4E 4274/4885LMNA 4020/4885MAPT 3697/4885

“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.