SCHEMBL16457429

SCHEMBL16457429

Cc1ccn(C(F)(F)F)n1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
ATM Q13315 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NOS1 P29475 1/20 0.38
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 2/20 0.33
USP2 O75604 1/20 0.33
ALOX15 P16050 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDO2 P48775 1/20 0.32
HSD11B1 P28845 1/20 0.31

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
SCHEMBL6904862 0.76 MAPT (0.38) MAPTRAB9ANPC1ATMSMN1; SMN2
SCHEMBL24292408 0.76 SMPD3 (0.33) ALOX15
SCHEMBL24737152 0.74 NOS1 (0.41) MAPTRAB9ANPC1ATMSMN1; SMN2
SCHEMBL24813878 0.74 MAPT (0.36) MAPTRAB9ANPC1ATMSMN1; SMN2
SCHEMBL26083604 0.74 NOS1 (0.41) MAPTRAB9ANPC1ATMSMN1; SMN2
SCHEMBL26846624 0.73
SCHEMBL21570498 0.73 KDM4E (0.33) L3MBTL1ALDH1A1KDM4E
SCHEMBL2528824 0.71 PRMT6 (0.38) MAPTRAB9ANPC1HTTNPSR1
SCHEMBL5139434 0.71 ALDH1A1 (0.37) SMN1; SMN2ALDH1A1KDM4E
SCHEMBL20483217 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2475644-B1 HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES HOFFMANN LA ROCHE (CH) 2014-01-08 EP claimed
WO-2024107393-A1 TRICYCLIC COMPOUNDS SCHRÖDINGER, INC. (US) 2024-05-23 WO disclosed
US-20230365592-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS AGIOS PHARMACEUTICALS, INC. 2023-11-16 US disclosed
US-20230365592-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS AGIOS PHARMACEUTICALS, INC. 2023-11-16 US disclosed
WO-2023205778-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-10-26 WO disclosed
US-11667634-B2 Inhibitors of RAF kinases KINNATE BIOPHARMA INC. (US) 2023-06-06 US disclosed
WO-2023078271-A1 AROMATIC COMPOUND, PREPARATION METHOD THEREFOR, INTERMEDIATE THEREOF, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF 上海旭成医药科技有限公司 2023-05-11 WO disclosed
WO-2023072301-A1 PYRAZOLO[3,4-D]PYRIMIDIN-3-ONE COMPOUND AND MEDICAL USE THEREOF 正大天晴药业集团股份有限公司 2023-05-04 WO disclosed
EP-3888749-A1 SULFONYLUREAS AND RELATED COMPOUNDS AND USE OF SAME The University of Queensland (AU) 2021-10-06 EP disclosed
US-20210246135-A1 INHIBITORS OF RAF KINASES Pierre Fabre Médicament (FR) 2021-08-12 US disclosed
US-10927111-B2 Inhibitors of RAF kinases KINNATE BIOPHARMA INC. (US) 2021-02-23 US disclosed
US-20200347052-A1 INHIBITORS OF RAF KINASES Pierre Fabre Médicament (FR) 2020-11-05 US disclosed
EP-3578547-A1 SULFONYLUREAS AND RELATED COMPOUNDS AND USE OF SAME The University of Queensland (AU) 2019-12-11 EP disclosed
US-20180044287-A1 SULFONYLUREAS AND RELATED COMPOUNDS AND USE OF SAME INFLAZOME LIMITED (IE) 2018-02-15 US disclosed
WO-2017176836-A1 COMPOSITIONS AND METHODS FOR CONTROLLING FECUNDITY OF ARACHNIDA SPECIES FMC CORPORATION (US) 2017-10-12 WO disclosed
WO-2016131098-A1 SULFONYLUREAS AND RELATED COMPOUNDS AND USE OF SAME THE UNIVERSITY OF QUEENSLAND (AU) 2016-08-25 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 (6 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-20200347052-A1 INHIBITORS OF RAF KINASES BRAF, RAF1, NRAS MAPT 3066/4885RAB9A 844/4885NPC1 1495/4885
US-11667634-B2 Inhibitors of RAF kinases BRAF, RAF1, NRAS MAPT 3066/4885RAB9A 844/4885NPC1 1495/4885
US-10927111-B2 Inhibitors of RAF kinases BRAF, RAF1, NRAS MAPT 3066/4885RAB9A 844/4885NPC1 1495/4885
US-20230365592-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS PAH, KDM8, PHF8 MAPT 2359/4885RAB9A 1335/4885NPC1 3526/4885
US-20210246135-A1 INHIBITORS OF RAF KINASES BRAF, RAF1, NRAS MAPT 3066/4885RAB9A 844/4885NPC1 1495/4885
US-20180044287-A1 SULFONYLUREAS AND RELATED COMPOUNDS AND USE OF SAME NLRP3, PYCARD, IAPP MAPT 1672/4885RAB9A 3614/4885NPC1 799/4885

“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.